smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCOC3=O)CC2)cc1 ZINC000181677444 234280675 /nfs/dbraw/zinc/28/06/75/234280675.db2.gz NSNRYZUFNMPPAK-UHFFFAOYSA-N 2 2 342.443 1.955 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000194883569 139001918 /nfs/dbraw/zinc/00/19/18/139001918.db2.gz WUQPWCPRBDBCJE-UHFFFAOYSA-N 2 2 340.471 1.776 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000155675929 205027714 /nfs/dbraw/zinc/02/77/14/205027714.db2.gz VTVMDKVQNOPDPP-HNNXBMFYSA-N 2 2 347.488 1.270 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000155675929 205027724 /nfs/dbraw/zinc/02/77/24/205027724.db2.gz VTVMDKVQNOPDPP-HNNXBMFYSA-N 2 2 347.488 1.270 20 30 EDEDLP C#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000368018231 250198786 /nfs/dbraw/zinc/19/87/86/250198786.db2.gz JDRFYLKGIANQGO-LJQANCHMSA-N 2 2 341.455 1.081 20 30 EDEDLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1F ZINC000424127138 252133655 /nfs/dbraw/zinc/13/36/55/252133655.db2.gz ASDGJMPKDJSWAO-INIZCTEOSA-N 2 2 348.422 1.500 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000490712366 255101866 /nfs/dbraw/zinc/10/18/66/255101866.db2.gz DSASXUUMUDWCMA-UHFFFAOYSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000490712366 255101869 /nfs/dbraw/zinc/10/18/69/255101869.db2.gz DSASXUUMUDWCMA-UHFFFAOYSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2c[nH]c3ccccc23)CC1 ZINC000490718659 255102443 /nfs/dbraw/zinc/10/24/43/255102443.db2.gz JIEANZXWNFZPAQ-UHFFFAOYSA-N 2 2 338.455 1.767 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2c[nH]c3ccccc23)CC1 ZINC000490718659 255102445 /nfs/dbraw/zinc/10/24/45/255102445.db2.gz JIEANZXWNFZPAQ-UHFFFAOYSA-N 2 2 338.455 1.767 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000490741784 255104591 /nfs/dbraw/zinc/10/45/91/255104591.db2.gz WWQJYCLBCPIBHM-CYBMUJFWSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000490741784 255104592 /nfs/dbraw/zinc/10/45/92/255104592.db2.gz WWQJYCLBCPIBHM-CYBMUJFWSA-N 2 2 331.382 1.427 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000491670657 255138178 /nfs/dbraw/zinc/13/81/78/255138178.db2.gz DSWPYYIBNCRKCE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000491670657 255138179 /nfs/dbraw/zinc/13/81/79/255138179.db2.gz DSWPYYIBNCRKCE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000491670657 255138181 /nfs/dbraw/zinc/13/81/81/255138181.db2.gz DSWPYYIBNCRKCE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000491670657 255138183 /nfs/dbraw/zinc/13/81/83/255138183.db2.gz DSWPYYIBNCRKCE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000491706037 255143719 /nfs/dbraw/zinc/14/37/19/255143719.db2.gz WIMRGQSNYYOPDO-UHFFFAOYSA-N 2 2 327.428 1.555 20 30 EDEDLP C#CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000491706037 255143721 /nfs/dbraw/zinc/14/37/21/255143721.db2.gz WIMRGQSNYYOPDO-UHFFFAOYSA-N 2 2 327.428 1.555 20 30 EDEDLP C#CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000491706037 255143723 /nfs/dbraw/zinc/14/37/23/255143723.db2.gz WIMRGQSNYYOPDO-UHFFFAOYSA-N 2 2 327.428 1.555 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000271293234 140272463 /nfs/dbraw/zinc/27/24/63/140272463.db2.gz NERSWCHQNOVGDP-YJBOKZPZSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000271293234 140272464 /nfs/dbraw/zinc/27/24/64/140272464.db2.gz NERSWCHQNOVGDP-YJBOKZPZSA-N 2 2 337.427 1.954 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000354935962 150040847 /nfs/dbraw/zinc/04/08/47/150040847.db2.gz TWGZFMIAKSCWGX-KGLIPLIRSA-N 2 2 331.395 1.929 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000354935962 150040849 /nfs/dbraw/zinc/04/08/49/150040849.db2.gz TWGZFMIAKSCWGX-KGLIPLIRSA-N 2 2 331.395 1.929 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368220 158155752 /nfs/dbraw/zinc/15/57/52/158155752.db2.gz GIVVXELPFTZANP-AWEZNQCLSA-N 2 2 327.432 1.194 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368220 158155754 /nfs/dbraw/zinc/15/57/54/158155754.db2.gz GIVVXELPFTZANP-AWEZNQCLSA-N 2 2 327.432 1.194 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000369444185 290220947 /nfs/dbraw/zinc/22/09/47/290220947.db2.gz AGPLXDYZXCLTQB-APWZRJJASA-N 2 2 328.460 1.567 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000369444185 290220951 /nfs/dbraw/zinc/22/09/51/290220951.db2.gz AGPLXDYZXCLTQB-APWZRJJASA-N 2 2 328.460 1.567 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378322900 447417852 /nfs/dbraw/zinc/41/78/52/447417852.db2.gz YAEKJMVTYLQUNJ-MSOLQXFVSA-N 2 2 336.524 1.369 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378322900 447417855 /nfs/dbraw/zinc/41/78/55/447417855.db2.gz YAEKJMVTYLQUNJ-MSOLQXFVSA-N 2 2 336.524 1.369 20 30 EDEDLP CC[NH+](CC)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045545357 440999504 /nfs/dbraw/zinc/99/95/04/440999504.db2.gz NVKZGJKYLHUZKW-UHFFFAOYSA-N 2 2 343.475 1.727 20 30 EDEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158771250 441761774 /nfs/dbraw/zinc/76/17/74/441761774.db2.gz YWQYZFPFBVZJSA-OAHLLOKOSA-N 2 2 341.887 1.406 20 30 EDEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158771250 441761783 /nfs/dbraw/zinc/76/17/83/441761783.db2.gz YWQYZFPFBVZJSA-OAHLLOKOSA-N 2 2 341.887 1.406 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000265800110 442926032 /nfs/dbraw/zinc/92/60/32/442926032.db2.gz BUZVQPAUSGDSNZ-UHFFFAOYSA-N 2 2 333.432 1.334 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000265800110 442926034 /nfs/dbraw/zinc/92/60/34/442926034.db2.gz BUZVQPAUSGDSNZ-UHFFFAOYSA-N 2 2 333.432 1.334 20 30 EDEDLP Cc1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000195204475 442995991 /nfs/dbraw/zinc/99/59/91/442995991.db2.gz LSASAKBILHAMFP-UHFFFAOYSA-N 2 2 341.459 1.550 20 30 EDEDLP OCC[C@@H]([NH2+]CC#CC[NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000284217287 443769940 /nfs/dbraw/zinc/76/99/40/443769940.db2.gz UBSPYZWBRGXNIZ-HZPDHXFCSA-N 2 2 332.400 1.602 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328947120 444417524 /nfs/dbraw/zinc/41/75/24/444417524.db2.gz GRRIITPVHMYBLF-BBWFWOEESA-N 2 2 339.480 1.289 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328947120 444417527 /nfs/dbraw/zinc/41/75/27/444417527.db2.gz GRRIITPVHMYBLF-BBWFWOEESA-N 2 2 339.480 1.289 20 30 EDEDLP CN1CC[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000580432228 322050421 /nfs/dbraw/zinc/05/04/21/322050421.db2.gz NJVDIIOQLCIBDI-IBGZPJMESA-N 3 2 327.476 1.016 20 30 EDEDLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329238905 444509360 /nfs/dbraw/zinc/50/93/60/444509360.db2.gz PYRSGMJTBJODAF-DOTOQJQBSA-N 2 2 346.431 1.502 20 30 EDEDLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329238905 444509361 /nfs/dbraw/zinc/50/93/61/444509361.db2.gz PYRSGMJTBJODAF-DOTOQJQBSA-N 2 2 346.431 1.502 20 30 EDEDLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)C1=O ZINC000329324455 444535334 /nfs/dbraw/zinc/53/53/34/444535334.db2.gz ICLRWHRYTUHVOU-OAHLLOKOSA-N 2 2 341.415 1.334 20 30 EDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC2(C#N)CC2)cc[nH+]1 ZINC000329950816 444783549 /nfs/dbraw/zinc/78/35/49/444783549.db2.gz MAMGJNVWDNANRV-KBPBESRZSA-N 2 2 332.427 1.695 20 30 EDEDLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC2(C#N)CC2)cc[nH+]1 ZINC000329950816 444783552 /nfs/dbraw/zinc/78/35/52/444783552.db2.gz MAMGJNVWDNANRV-KBPBESRZSA-N 2 2 332.427 1.695 20 30 EDEDLP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000344303805 444889852 /nfs/dbraw/zinc/88/98/52/444889852.db2.gz CEOOUHUTBJDKBN-UHFFFAOYSA-N 2 2 334.439 1.177 20 30 EDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000348704201 445349860 /nfs/dbraw/zinc/34/98/60/445349860.db2.gz GNUMPNWUYANJQH-YJBOKZPZSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000348704201 445349861 /nfs/dbraw/zinc/34/98/61/445349861.db2.gz GNUMPNWUYANJQH-YJBOKZPZSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000348704201 445349862 /nfs/dbraw/zinc/34/98/62/445349862.db2.gz GNUMPNWUYANJQH-YJBOKZPZSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000348704201 445349863 /nfs/dbraw/zinc/34/98/63/445349863.db2.gz GNUMPNWUYANJQH-YJBOKZPZSA-N 2 2 328.460 1.837 20 30 EDEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489469 445533150 /nfs/dbraw/zinc/53/31/50/445533150.db2.gz AIYUIKDMBIOOGC-HNNXBMFYSA-N 2 2 345.422 1.446 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374796035 446397664 /nfs/dbraw/zinc/39/76/64/446397664.db2.gz BZNKFTPZNBSCBC-UHFFFAOYSA-N 2 2 345.443 1.226 20 30 EDEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433327950 446554339 /nfs/dbraw/zinc/55/43/39/446554339.db2.gz UQMVAWOGGQJMCS-GOSISDBHSA-N 2 2 340.431 1.015 20 30 EDEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433327950 446554345 /nfs/dbraw/zinc/55/43/45/446554345.db2.gz UQMVAWOGGQJMCS-GOSISDBHSA-N 2 2 340.431 1.015 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000459342006 447641315 /nfs/dbraw/zinc/64/13/15/447641315.db2.gz GQZTYYBKZZLVGO-INIZCTEOSA-N 2 2 343.431 1.678 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000459342006 447641321 /nfs/dbraw/zinc/64/13/21/447641321.db2.gz GQZTYYBKZZLVGO-INIZCTEOSA-N 2 2 343.431 1.678 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490851006 447899140 /nfs/dbraw/zinc/89/91/40/447899140.db2.gz DRNKDVNRLGXSPQ-OTWHNJEPSA-N 2 2 346.519 1.101 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000490851006 447899142 /nfs/dbraw/zinc/89/91/42/447899142.db2.gz DRNKDVNRLGXSPQ-OTWHNJEPSA-N 2 2 346.519 1.101 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591664343 448436898 /nfs/dbraw/zinc/43/68/98/448436898.db2.gz JFEIDRBUSGBVEA-BBWFWOEESA-N 2 2 345.443 1.523 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000591664343 448436902 /nfs/dbraw/zinc/43/69/02/448436902.db2.gz JFEIDRBUSGBVEA-BBWFWOEESA-N 2 2 345.443 1.523 20 30 EDEDLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592217898 448752599 /nfs/dbraw/zinc/75/25/99/448752599.db2.gz XHBCEKJDADEKSH-LSDHHAIUSA-N 2 2 329.448 1.511 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519538714 448781246 /nfs/dbraw/zinc/78/12/46/448781246.db2.gz IZLIKDHJSQQVBR-SOLBZPMBSA-N 2 2 325.497 1.087 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519538714 448781252 /nfs/dbraw/zinc/78/12/52/448781252.db2.gz IZLIKDHJSQQVBR-SOLBZPMBSA-N 2 2 325.497 1.087 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1=O ZINC000602014582 449275148 /nfs/dbraw/zinc/27/51/48/449275148.db2.gz FCEHHONWBZOGNT-MRXNPFEDSA-N 2 2 341.390 1.712 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000600717243 449514105 /nfs/dbraw/zinc/51/41/05/449514105.db2.gz KCEUUGXUHDFLEW-KRWDZBQOSA-N 2 2 336.395 1.778 20 30 EDEDLP C[C@@]1(C#N)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000612162787 449594307 /nfs/dbraw/zinc/59/43/07/449594307.db2.gz MPIGAFFWKCDCAX-IBGZPJMESA-N 2 2 341.459 1.746 20 30 EDEDLP C[C@@]1(C#N)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000612162787 449594311 /nfs/dbraw/zinc/59/43/11/449594311.db2.gz MPIGAFFWKCDCAX-IBGZPJMESA-N 2 2 341.459 1.746 20 30 EDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC(C)(C)CC#N ZINC000594803984 449716454 /nfs/dbraw/zinc/71/64/54/449716454.db2.gz SUHZWCHTFZEGNM-AWEZNQCLSA-N 2 2 332.514 1.118 20 30 EDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC(C)(C)CC#N ZINC000594803984 449716458 /nfs/dbraw/zinc/71/64/58/449716458.db2.gz SUHZWCHTFZEGNM-AWEZNQCLSA-N 2 2 332.514 1.118 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000609548093 450048796 /nfs/dbraw/zinc/04/87/96/450048796.db2.gz PCUJBTWUUDNTGG-OAHLLOKOSA-N 2 2 326.444 1.537 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000609548093 450048803 /nfs/dbraw/zinc/04/88/03/450048803.db2.gz PCUJBTWUUDNTGG-OAHLLOKOSA-N 2 2 326.444 1.537 20 30 EDEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508450 450195993 /nfs/dbraw/zinc/19/59/93/450195993.db2.gz XPCYWWWBBBAQTG-LJQANCHMSA-N 2 2 326.444 1.592 20 30 EDEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508450 450195997 /nfs/dbraw/zinc/19/59/97/450195997.db2.gz XPCYWWWBBBAQTG-LJQANCHMSA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508450 450196001 /nfs/dbraw/zinc/19/60/01/450196001.db2.gz XPCYWWWBBBAQTG-LJQANCHMSA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508450 450196006 /nfs/dbraw/zinc/19/60/06/450196006.db2.gz XPCYWWWBBBAQTG-LJQANCHMSA-N 2 2 326.444 1.592 20 30 EDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000644166502 453097425 /nfs/dbraw/zinc/09/74/25/453097425.db2.gz QCTAPRVDRVGCIK-SJLPKXTDSA-N 2 2 325.416 1.810 20 30 EDEDLP C=CC[C@]1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCC[NH2+]1 ZINC000662793044 453526900 /nfs/dbraw/zinc/52/69/00/453526900.db2.gz DWRBBRXTGPCUBU-GOSISDBHSA-N 2 2 330.432 1.863 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000491808388 486589530 /nfs/dbraw/zinc/58/95/30/486589530.db2.gz VJNCKWWGNYLRPM-UHFFFAOYSA-N 2 2 328.460 1.688 20 30 EDEDLP C[NH+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC1CC1 ZINC000103338346 526384728 /nfs/dbraw/zinc/38/47/28/526384728.db2.gz MYBPFNDMTVJTGK-UHFFFAOYSA-N 2 2 332.448 1.225 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000726185658 578335793 /nfs/dbraw/zinc/33/57/93/578335793.db2.gz YEKGNHZJNAZVJA-CHWSQXEVSA-N 2 2 327.392 1.015 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000726185658 578335795 /nfs/dbraw/zinc/33/57/95/578335795.db2.gz YEKGNHZJNAZVJA-CHWSQXEVSA-N 2 2 327.392 1.015 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000732064360 578688963 /nfs/dbraw/zinc/68/89/63/578688963.db2.gz JHSVNXBDTCXTFW-KRWDZBQOSA-N 2 2 342.443 1.613 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000732064360 578688964 /nfs/dbraw/zinc/68/89/64/578688964.db2.gz JHSVNXBDTCXTFW-KRWDZBQOSA-N 2 2 342.443 1.613 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000732158759 578695024 /nfs/dbraw/zinc/69/50/24/578695024.db2.gz BAQIDCKWZUCVQC-KRWDZBQOSA-N 2 2 333.476 1.235 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000732158759 578695025 /nfs/dbraw/zinc/69/50/25/578695025.db2.gz BAQIDCKWZUCVQC-KRWDZBQOSA-N 2 2 333.476 1.235 20 30 EDEDLP COCCc1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000747838444 579660379 /nfs/dbraw/zinc/66/03/79/579660379.db2.gz CAECOBVBVJUVKJ-UHFFFAOYSA-N 2 2 333.392 1.157 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccc(C(N)=O)c2)cc1 ZINC000747837373 579660469 /nfs/dbraw/zinc/66/04/69/579660469.db2.gz MNXMKNPYDFYFTP-UHFFFAOYSA-N 2 2 326.400 1.684 20 30 EDEDLP Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761856037 580062709 /nfs/dbraw/zinc/06/27/09/580062709.db2.gz YIFHEYDZYZNOII-UHFFFAOYSA-N 2 2 345.370 1.997 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000775333032 580388495 /nfs/dbraw/zinc/38/84/95/580388495.db2.gz RVJUDJKNGPMTEG-KRWDZBQOSA-N 2 2 327.472 1.720 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780749144 580532861 /nfs/dbraw/zinc/53/28/61/580532861.db2.gz BZFIOTIJFCCNCL-IBGZPJMESA-N 2 2 347.503 1.435 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780749144 580532862 /nfs/dbraw/zinc/53/28/62/580532862.db2.gz BZFIOTIJFCCNCL-IBGZPJMESA-N 2 2 347.503 1.435 20 30 EDEDLP Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000794637235 580901192 /nfs/dbraw/zinc/90/11/92/580901192.db2.gz SJZGEZRTRLPQAO-CQSZACIVSA-N 2 2 334.493 1.638 20 30 EDEDLP Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000794637235 580901193 /nfs/dbraw/zinc/90/11/93/580901193.db2.gz SJZGEZRTRLPQAO-CQSZACIVSA-N 2 2 334.493 1.638 20 30 EDEDLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000895322384 591712042 /nfs/dbraw/zinc/71/20/42/591712042.db2.gz CGTCDKLGBUIEBD-QGZVFWFLSA-N 2 2 326.444 1.637 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c(OC)c1 ZINC000903860368 592349208 /nfs/dbraw/zinc/34/92/08/592349208.db2.gz RDSFDFXCOHMMAR-SQGPQFPESA-N 2 2 346.471 1.977 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c(OC)c1 ZINC000903860368 592349212 /nfs/dbraw/zinc/34/92/12/592349212.db2.gz RDSFDFXCOHMMAR-SQGPQFPESA-N 2 2 346.471 1.977 20 30 EDEDLP CCCN1C/C(=C/c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901416796 592357084 /nfs/dbraw/zinc/35/70/84/592357084.db2.gz GQVRVYMWRVWSKQ-LRSUZXNRSA-N 2 2 325.416 1.915 20 30 EDEDLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000827414413 594669638 /nfs/dbraw/zinc/66/96/38/594669638.db2.gz UDPPPBJTTGYCEX-INIZCTEOSA-N 2 2 342.443 1.465 20 30 EDEDLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000827414413 594669639 /nfs/dbraw/zinc/66/96/39/594669639.db2.gz UDPPPBJTTGYCEX-INIZCTEOSA-N 2 2 342.443 1.465 20 30 EDEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000841016347 594839998 /nfs/dbraw/zinc/83/99/98/594839998.db2.gz HXJYEQZNDZLWFD-WCQYABFASA-N 2 2 334.449 1.362 20 30 EDEDLP Cc1ncc(CO)c(/C=[NH+]\CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000849170996 595490948 /nfs/dbraw/zinc/49/09/48/595490948.db2.gz PMQKIYODSJSPHL-NDENLUEZSA-N 2 2 347.459 1.898 20 30 EDEDLP C=CC[N@@H+](C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000857235744 596194358 /nfs/dbraw/zinc/19/43/58/596194358.db2.gz UBDVFUMYMRNTRZ-UHFFFAOYSA-N 2 2 342.443 1.648 20 30 EDEDLP C=CC[N@H+](C)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000857235744 596194361 /nfs/dbraw/zinc/19/43/61/596194361.db2.gz UBDVFUMYMRNTRZ-UHFFFAOYSA-N 2 2 342.443 1.648 20 30 EDEDLP C#CC[C@@H](COC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865646442 596637897 /nfs/dbraw/zinc/63/78/97/596637897.db2.gz QLUFLFGNSQXZFM-SFHVURJKSA-N 2 2 332.444 1.526 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870156712 596778601 /nfs/dbraw/zinc/77/86/01/596778601.db2.gz CKPBRPOLADVTJV-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870156712 596778604 /nfs/dbraw/zinc/77/86/04/596778604.db2.gz CKPBRPOLADVTJV-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883180815 597679137 /nfs/dbraw/zinc/67/91/37/597679137.db2.gz LVEXDHNOBKOLDS-HKUYNNGSSA-N 2 2 343.471 1.689 20 30 EDEDLP C#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883371188 597725404 /nfs/dbraw/zinc/72/54/04/597725404.db2.gz APUBIARANUYWBB-FQEVSTJZSA-N 2 2 327.472 1.554 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000992687810 695207663 /nfs/dbraw/zinc/20/76/63/695207663.db2.gz DNRDZMNHIJVBPB-BPQIPLTHSA-N 2 2 340.471 1.612 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948057828 695320851 /nfs/dbraw/zinc/32/08/51/695320851.db2.gz ZGVDVUUTEAWDGR-KGLIPLIRSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948057828 695320855 /nfs/dbraw/zinc/32/08/55/695320855.db2.gz ZGVDVUUTEAWDGR-KGLIPLIRSA-N 2 2 344.297 1.960 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939856338 699994988 /nfs/dbraw/zinc/99/49/88/699994988.db2.gz KVMHLOWKYGJAPS-GUYCJALGSA-N 2 2 341.390 1.531 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000915172175 695756723 /nfs/dbraw/zinc/75/67/23/695756723.db2.gz QUUVCPCAXGQIPY-UHFFFAOYSA-N 2 2 326.444 1.399 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994114598 696539220 /nfs/dbraw/zinc/53/92/20/696539220.db2.gz PCMWTGXRBYADJM-MAUKXSAKSA-N 2 2 337.427 1.873 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994114598 696539222 /nfs/dbraw/zinc/53/92/22/696539222.db2.gz PCMWTGXRBYADJM-MAUKXSAKSA-N 2 2 337.427 1.873 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994114603 696539295 /nfs/dbraw/zinc/53/92/95/696539295.db2.gz PCMWTGXRBYADJM-QAPCUYQASA-N 2 2 337.427 1.873 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994114603 696539296 /nfs/dbraw/zinc/53/92/96/696539296.db2.gz PCMWTGXRBYADJM-QAPCUYQASA-N 2 2 337.427 1.873 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939213392 699363034 /nfs/dbraw/zinc/36/30/34/699363034.db2.gz CWQSLLMASKDLKL-YVEFUNNKSA-N 2 2 341.390 1.600 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596033 701587598 /nfs/dbraw/zinc/58/75/98/701587598.db2.gz UBERXKCIUDRMOP-GOSISDBHSA-N 2 2 346.519 1.103 20 30 EDEDLP N#Cc1cccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000998184048 705484024 /nfs/dbraw/zinc/48/40/24/705484024.db2.gz RWOBTSDADPXQBY-UHFFFAOYSA-N 2 2 337.427 1.852 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998256019 705617038 /nfs/dbraw/zinc/61/70/38/705617038.db2.gz AQPLXULBFIPAHD-RYUDHWBXSA-N 2 2 328.338 1.345 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000999396137 706890323 /nfs/dbraw/zinc/89/03/23/706890323.db2.gz GXBZJWNKWMHVGQ-SJORKVTESA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000999396137 706890326 /nfs/dbraw/zinc/89/03/26/706890326.db2.gz GXBZJWNKWMHVGQ-SJORKVTESA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408264 708915955 /nfs/dbraw/zinc/91/59/55/708915955.db2.gz WABRTRAYGXQZRD-KRWDZBQOSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408264 708915957 /nfs/dbraw/zinc/91/59/57/708915957.db2.gz WABRTRAYGXQZRD-KRWDZBQOSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034017417 709234567 /nfs/dbraw/zinc/23/45/67/709234567.db2.gz YTRQCUPKDFQEMT-QGZVFWFLSA-N 2 2 337.427 1.827 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034017417 709234568 /nfs/dbraw/zinc/23/45/68/709234568.db2.gz YTRQCUPKDFQEMT-QGZVFWFLSA-N 2 2 337.427 1.827 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2scnc2C)CC1 ZINC001003055461 709904258 /nfs/dbraw/zinc/90/42/58/709904258.db2.gz IBBPTBMNRSRBLJ-INIZCTEOSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2scnc2C)CC1 ZINC001003055461 709904261 /nfs/dbraw/zinc/90/42/61/709904261.db2.gz IBBPTBMNRSRBLJ-INIZCTEOSA-N 2 2 346.500 1.630 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032968381 711039603 /nfs/dbraw/zinc/03/96/03/711039603.db2.gz PPEDWILNJILYMW-RTBURBONSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032968381 711039605 /nfs/dbraw/zinc/03/96/05/711039605.db2.gz PPEDWILNJILYMW-RTBURBONSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968381 711039611 /nfs/dbraw/zinc/03/96/11/711039611.db2.gz PPEDWILNJILYMW-RTBURBONSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968381 711039618 /nfs/dbraw/zinc/03/96/18/711039618.db2.gz PPEDWILNJILYMW-RTBURBONSA-N 2 2 325.456 1.665 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)CC[N@@H+]1C ZINC001004522763 711922151 /nfs/dbraw/zinc/92/21/51/711922151.db2.gz PIPCCJJTWKLDLK-SZMVWBNQSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)CC[N@H+]1C ZINC001004522763 711922152 /nfs/dbraw/zinc/92/21/52/711922152.db2.gz PIPCCJJTWKLDLK-SZMVWBNQSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC[NH+]1C ZINC001004522763 711922153 /nfs/dbraw/zinc/92/21/53/711922153.db2.gz PIPCCJJTWKLDLK-SZMVWBNQSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC[NH+]1C ZINC001004522763 711922154 /nfs/dbraw/zinc/92/21/54/711922154.db2.gz PIPCCJJTWKLDLK-SZMVWBNQSA-N 2 2 332.492 1.943 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000105120282 204134498 /nfs/dbraw/zinc/13/44/98/204134498.db2.gz DJHBMWOWUAXNOI-UHFFFAOYSA-N 2 2 343.475 1.726 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000105120282 204134501 /nfs/dbraw/zinc/13/45/01/204134501.db2.gz DJHBMWOWUAXNOI-UHFFFAOYSA-N 2 2 343.475 1.726 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246692335 249311144 /nfs/dbraw/zinc/31/11/44/249311144.db2.gz WYWLBNIEQSKFKK-ROUUACIJSA-N 2 2 335.492 1.620 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246692335 249311146 /nfs/dbraw/zinc/31/11/46/249311146.db2.gz WYWLBNIEQSKFKK-ROUUACIJSA-N 2 2 335.492 1.620 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)C(C)C ZINC000359029111 250150288 /nfs/dbraw/zinc/15/02/88/250150288.db2.gz JNGGHAKJQFUMEW-HZPDHXFCSA-N 2 2 345.447 1.571 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)C(C)C ZINC000359029111 250150292 /nfs/dbraw/zinc/15/02/92/250150292.db2.gz JNGGHAKJQFUMEW-HZPDHXFCSA-N 2 2 345.447 1.571 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000490948697 255111847 /nfs/dbraw/zinc/11/18/47/255111847.db2.gz GPKWFVUBSKQPEF-LJQANCHMSA-N 2 2 325.456 1.375 20 30 EDEDLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626752 151090918 /nfs/dbraw/zinc/09/09/18/151090918.db2.gz LZEORACUWYNFDO-YJBOKZPZSA-N 2 2 347.459 1.075 20 30 EDEDLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626752 151090920 /nfs/dbraw/zinc/09/09/20/151090920.db2.gz LZEORACUWYNFDO-YJBOKZPZSA-N 2 2 347.459 1.075 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1=O ZINC000544031407 306072175 /nfs/dbraw/zinc/07/21/75/306072175.db2.gz GAWUTZDXEHSDPQ-AWEZNQCLSA-N 2 2 329.429 1.634 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378428616 447426456 /nfs/dbraw/zinc/42/64/56/447426456.db2.gz JRYXBSOYNBOTOF-GOSISDBHSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378428616 447426462 /nfs/dbraw/zinc/42/64/62/447426462.db2.gz JRYXBSOYNBOTOF-GOSISDBHSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378428616 447426470 /nfs/dbraw/zinc/42/64/70/447426470.db2.gz JRYXBSOYNBOTOF-GOSISDBHSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378428616 447426475 /nfs/dbraw/zinc/42/64/75/447426475.db2.gz JRYXBSOYNBOTOF-GOSISDBHSA-N 2 2 334.508 1.287 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000073354119 441311703 /nfs/dbraw/zinc/31/17/03/441311703.db2.gz VTBWAYNHWOLZSH-UHFFFAOYSA-N 2 2 346.866 1.934 20 30 EDEDLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OCCCC#N ZINC000065274747 441413251 /nfs/dbraw/zinc/41/32/51/441413251.db2.gz DOQZJPZLJDDVEW-KRWDZBQOSA-N 2 2 347.459 1.924 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109958 441599707 /nfs/dbraw/zinc/59/97/07/441599707.db2.gz RLFCQRQIWYFROG-KRWDZBQOSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109958 441599709 /nfs/dbraw/zinc/59/97/09/441599709.db2.gz RLFCQRQIWYFROG-KRWDZBQOSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109958 441599710 /nfs/dbraw/zinc/59/97/10/441599710.db2.gz RLFCQRQIWYFROG-KRWDZBQOSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109958 441599712 /nfs/dbraw/zinc/59/97/12/441599712.db2.gz RLFCQRQIWYFROG-KRWDZBQOSA-N 2 2 344.459 1.452 20 30 EDEDLP COc1ccccc1CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000170909591 442287104 /nfs/dbraw/zinc/28/71/04/442287104.db2.gz JIWXRUPFHXCJEL-HUUCEWRRSA-N 2 2 348.491 1.987 20 30 EDEDLP N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)nc1 ZINC000177043324 442289908 /nfs/dbraw/zinc/28/99/08/442289908.db2.gz WVLDMVKBKNZONF-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP C#CC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000192225402 442617518 /nfs/dbraw/zinc/61/75/18/442617518.db2.gz NCAXLEDPARLYOY-IBGZPJMESA-N 2 2 343.471 1.903 20 30 EDEDLP C#CC[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000192225402 442617524 /nfs/dbraw/zinc/61/75/24/442617524.db2.gz NCAXLEDPARLYOY-IBGZPJMESA-N 2 2 343.471 1.903 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000181979195 442724836 /nfs/dbraw/zinc/72/48/36/442724836.db2.gz JONKDBFAEVFAKC-QAPCUYQASA-N 2 2 342.443 1.142 20 30 EDEDLP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953655 443175825 /nfs/dbraw/zinc/17/58/25/443175825.db2.gz IDOTXVQQYBOAGB-OFQRWUPVSA-N 2 2 337.493 1.209 20 30 EDEDLP C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191130042 443246638 /nfs/dbraw/zinc/24/66/38/443246638.db2.gz RYVRIWHEOSTSIG-INIZCTEOSA-N 2 2 332.448 1.253 20 30 EDEDLP C=CC[N@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191130042 443246640 /nfs/dbraw/zinc/24/66/40/443246640.db2.gz RYVRIWHEOSTSIG-INIZCTEOSA-N 2 2 332.448 1.253 20 30 EDEDLP C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1c[nH+]cn1C ZINC000267822282 443588933 /nfs/dbraw/zinc/58/89/33/443588933.db2.gz XQJFREFEPMZFHU-NSHDSACASA-N 2 2 325.413 1.712 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000281956065 444048056 /nfs/dbraw/zinc/04/80/56/444048056.db2.gz JYSWDHOQMMRCDG-KRWDZBQOSA-N 2 2 331.464 1.066 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1=O ZINC000281956065 444048059 /nfs/dbraw/zinc/04/80/59/444048059.db2.gz JYSWDHOQMMRCDG-KRWDZBQOSA-N 2 2 331.464 1.066 20 30 EDEDLP CCn1nncc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000328889882 444390222 /nfs/dbraw/zinc/39/02/22/444390222.db2.gz RGQQLVWPFZGYGR-UHFFFAOYSA-N 2 2 334.468 1.553 20 30 EDEDLP O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329084351 444467959 /nfs/dbraw/zinc/46/79/59/444467959.db2.gz TYBZJOXIMUIRNW-GOSISDBHSA-N 2 2 337.464 1.451 20 30 EDEDLP O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329084351 444467962 /nfs/dbraw/zinc/46/79/62/444467962.db2.gz TYBZJOXIMUIRNW-GOSISDBHSA-N 2 2 337.464 1.451 20 30 EDEDLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329218714 444504767 /nfs/dbraw/zinc/50/47/67/444504767.db2.gz AJPPKMKKBYNEKD-HZPDHXFCSA-N 2 2 333.480 1.676 20 30 EDEDLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000329487438 444600614 /nfs/dbraw/zinc/60/06/14/444600614.db2.gz XUBIGSSFKFFIAK-ZWKOTPCHSA-N 2 2 347.459 1.430 20 30 EDEDLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000329487438 444600617 /nfs/dbraw/zinc/60/06/17/444600617.db2.gz XUBIGSSFKFFIAK-ZWKOTPCHSA-N 2 2 347.459 1.430 20 30 EDEDLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000329487438 444600621 /nfs/dbraw/zinc/60/06/21/444600621.db2.gz XUBIGSSFKFFIAK-ZWKOTPCHSA-N 2 2 347.459 1.430 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566656 445654543 /nfs/dbraw/zinc/65/45/43/445654543.db2.gz BJATXPVWENLIQC-UKRRQHHQSA-N 2 2 332.423 1.935 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566656 445654546 /nfs/dbraw/zinc/65/45/46/445654546.db2.gz BJATXPVWENLIQC-UKRRQHHQSA-N 2 2 332.423 1.935 20 30 EDEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3C#N)CC2)C1 ZINC000369353043 446096493 /nfs/dbraw/zinc/09/64/93/446096493.db2.gz BGAWAVXCEYBRRH-GOSISDBHSA-N 2 2 328.460 1.649 20 30 EDEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3C#N)CC2)C1 ZINC000369353043 446096499 /nfs/dbraw/zinc/09/64/99/446096499.db2.gz BGAWAVXCEYBRRH-GOSISDBHSA-N 2 2 328.460 1.649 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370133591 446185902 /nfs/dbraw/zinc/18/59/02/446185902.db2.gz SEKUKJWOGAZQMH-SFHVURJKSA-N 2 2 335.492 1.787 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370133591 446185908 /nfs/dbraw/zinc/18/59/08/446185908.db2.gz SEKUKJWOGAZQMH-SFHVURJKSA-N 2 2 335.492 1.787 20 30 EDEDLP C#Cc1ccccc1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000365599523 446268295 /nfs/dbraw/zinc/26/82/95/446268295.db2.gz DURBUZHQTPSPBM-QGZVFWFLSA-N 2 2 339.483 1.837 20 30 EDEDLP C#Cc1ccccc1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000365599523 446268298 /nfs/dbraw/zinc/26/82/98/446268298.db2.gz DURBUZHQTPSPBM-QGZVFWFLSA-N 2 2 339.483 1.837 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839546 446377227 /nfs/dbraw/zinc/37/72/27/446377227.db2.gz BIDBOOIZYRFRSI-HOCLYGCPSA-N 2 2 349.394 1.413 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839546 446377231 /nfs/dbraw/zinc/37/72/31/446377231.db2.gz BIDBOOIZYRFRSI-HOCLYGCPSA-N 2 2 349.394 1.413 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000367182312 446519054 /nfs/dbraw/zinc/51/90/54/446519054.db2.gz YWCHXNYZIUMXEG-PKOBYXMFSA-N 2 2 337.508 1.354 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000367182312 446519060 /nfs/dbraw/zinc/51/90/60/446519060.db2.gz YWCHXNYZIUMXEG-PKOBYXMFSA-N 2 2 337.508 1.354 20 30 EDEDLP C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371675593 446947338 /nfs/dbraw/zinc/94/73/38/446947338.db2.gz JEZQZXOUJOIHQS-AWEZNQCLSA-N 2 2 326.510 1.373 20 30 EDEDLP C=CCSCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371675593 446947344 /nfs/dbraw/zinc/94/73/44/446947344.db2.gz JEZQZXOUJOIHQS-AWEZNQCLSA-N 2 2 326.510 1.373 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC000490841389 447899046 /nfs/dbraw/zinc/89/90/46/447899046.db2.gz UEBXXYQROGDOJT-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC000490841389 447899049 /nfs/dbraw/zinc/89/90/49/447899049.db2.gz UEBXXYQROGDOJT-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000490866522 447901661 /nfs/dbraw/zinc/90/16/61/447901661.db2.gz PZVKSAMDVVUOPY-UHFFFAOYSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000491394974 448013733 /nfs/dbraw/zinc/01/37/33/448013733.db2.gz PKKRZLLTAULTFA-IBGZPJMESA-N 2 2 343.471 1.951 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491243436 447971037 /nfs/dbraw/zinc/97/10/37/447971037.db2.gz XEGISFZBEHTOJP-UHFFFAOYSA-N 2 2 344.415 1.197 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)CC1 ZINC000491414595 448018408 /nfs/dbraw/zinc/01/84/08/448018408.db2.gz DGIALCKUCBMWHR-UHFFFAOYSA-N 2 2 337.427 1.992 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000582841464 448355724 /nfs/dbraw/zinc/35/57/24/448355724.db2.gz ILHCNAGGAVYACQ-VQTJNVASSA-N 2 2 344.503 1.837 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000582841464 448355731 /nfs/dbraw/zinc/35/57/31/448355731.db2.gz ILHCNAGGAVYACQ-VQTJNVASSA-N 2 2 344.503 1.837 20 30 EDEDLP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]CCC#N)cc2)CC1 ZINC000574749661 448946286 /nfs/dbraw/zinc/94/62/86/448946286.db2.gz IXZWNDHNPQJGBH-UHFFFAOYSA-N 2 2 344.459 1.275 20 30 EDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000593154665 449153724 /nfs/dbraw/zinc/15/37/24/449153724.db2.gz RGBBONQEUVNOHB-LJQANCHMSA-N 2 2 328.460 1.859 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000593355863 449241343 /nfs/dbraw/zinc/24/13/43/449241343.db2.gz QNWHAWSOOSAZKW-UHFFFAOYSA-N 2 2 337.427 1.926 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533557 449325504 /nfs/dbraw/zinc/32/55/04/449325504.db2.gz NTTPNGLGBSKUEF-CRAIPNDOSA-N 2 2 329.448 1.647 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714574 449511535 /nfs/dbraw/zinc/51/15/35/449511535.db2.gz NMBOJKRJMLHPPQ-MSOLQXFVSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714574 449511543 /nfs/dbraw/zinc/51/15/43/449511543.db2.gz NMBOJKRJMLHPPQ-MSOLQXFVSA-N 2 2 347.459 1.244 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596618305 449574301 /nfs/dbraw/zinc/57/43/01/449574301.db2.gz KJJJHVAGPKJTFH-UHFFFAOYSA-N 2 2 335.427 1.380 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596618305 449574305 /nfs/dbraw/zinc/57/43/05/449574305.db2.gz KJJJHVAGPKJTFH-UHFFFAOYSA-N 2 2 335.427 1.380 20 30 EDEDLP Cc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C#N ZINC000599283904 449858800 /nfs/dbraw/zinc/85/88/00/449858800.db2.gz GXXXYMMNTHPCKT-UHFFFAOYSA-N 2 2 326.444 1.607 20 30 EDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599396205 449942184 /nfs/dbraw/zinc/94/21/84/449942184.db2.gz HGZIIYSVXMDWKB-QGZVFWFLSA-N 2 2 344.459 1.583 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973596 449975041 /nfs/dbraw/zinc/97/50/41/449975041.db2.gz BZUWWGDAAVXNTJ-BBWFWOEESA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973596 449975046 /nfs/dbraw/zinc/97/50/46/449975046.db2.gz BZUWWGDAAVXNTJ-BBWFWOEESA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973596 449975056 /nfs/dbraw/zinc/97/50/56/449975056.db2.gz BZUWWGDAAVXNTJ-BBWFWOEESA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973596 449975062 /nfs/dbraw/zinc/97/50/62/449975062.db2.gz BZUWWGDAAVXNTJ-BBWFWOEESA-N 2 2 336.480 1.083 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599445387 449980897 /nfs/dbraw/zinc/98/08/97/449980897.db2.gz ROBJTQYQKHPGGU-GOSISDBHSA-N 2 2 341.459 1.123 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599445387 449980900 /nfs/dbraw/zinc/98/09/00/449980900.db2.gz ROBJTQYQKHPGGU-GOSISDBHSA-N 2 2 341.459 1.123 20 30 EDEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000599668031 450140109 /nfs/dbraw/zinc/14/01/09/450140109.db2.gz AHDFBJSQOZSUCM-INIZCTEOSA-N 2 2 336.480 1.324 20 30 EDEDLP C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644635960 451909930 /nfs/dbraw/zinc/90/99/30/451909930.db2.gz MDMMSLFCYXJFSK-MRXNPFEDSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644635960 451909932 /nfs/dbraw/zinc/90/99/32/451909932.db2.gz MDMMSLFCYXJFSK-MRXNPFEDSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CCC[NH2+]1 ZINC000662755334 453491898 /nfs/dbraw/zinc/49/18/98/453491898.db2.gz FBVJYONOZRVYHU-QFBILLFUSA-N 2 2 328.460 1.985 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329741879 485553088 /nfs/dbraw/zinc/55/30/88/485553088.db2.gz WFFFRQUXNZFRBT-CABCVRRESA-N 2 2 331.464 1.845 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000329741879 485553097 /nfs/dbraw/zinc/55/30/97/485553097.db2.gz WFFFRQUXNZFRBT-CABCVRRESA-N 2 2 331.464 1.845 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328800063 546508579 /nfs/dbraw/zinc/50/85/79/546508579.db2.gz YCUAASRYTWDRRA-MRXNPFEDSA-N 2 2 349.479 1.580 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328800063 546508584 /nfs/dbraw/zinc/50/85/84/546508584.db2.gz YCUAASRYTWDRRA-MRXNPFEDSA-N 2 2 349.479 1.580 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000730096641 578613934 /nfs/dbraw/zinc/61/39/34/578613934.db2.gz YIEWHBIFTHELSR-IBGZPJMESA-N 2 2 341.455 1.307 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000730096641 578613936 /nfs/dbraw/zinc/61/39/36/578613936.db2.gz YIEWHBIFTHELSR-IBGZPJMESA-N 2 2 341.455 1.307 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000730276999 578638451 /nfs/dbraw/zinc/63/84/51/578638451.db2.gz WBRSUMILTKQAGZ-HOCLYGCPSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000730276999 578638452 /nfs/dbraw/zinc/63/84/52/578638452.db2.gz WBRSUMILTKQAGZ-HOCLYGCPSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000730276999 578638453 /nfs/dbraw/zinc/63/84/53/578638453.db2.gz WBRSUMILTKQAGZ-HOCLYGCPSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000730276999 578638454 /nfs/dbraw/zinc/63/84/54/578638454.db2.gz WBRSUMILTKQAGZ-HOCLYGCPSA-N 2 2 331.485 1.709 20 30 EDEDLP CC(C[NH+]1CCCCCC1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000777421275 580441268 /nfs/dbraw/zinc/44/12/68/580441268.db2.gz RIQALJHFEWPFIA-UHFFFAOYSA-N 2 2 341.525 1.035 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000748817157 579701594 /nfs/dbraw/zinc/70/15/94/579701594.db2.gz KNNHZAZUOLOLGZ-MOPGFXCFSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000748817157 579701595 /nfs/dbraw/zinc/70/15/95/579701595.db2.gz KNNHZAZUOLOLGZ-MOPGFXCFSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000748817130 579701619 /nfs/dbraw/zinc/70/16/19/579701619.db2.gz JVUORROBLIAQBT-SFHVURJKSA-N 2 2 343.496 1.554 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000748817130 579701620 /nfs/dbraw/zinc/70/16/20/579701620.db2.gz JVUORROBLIAQBT-SFHVURJKSA-N 2 2 343.496 1.554 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000748818121 579701831 /nfs/dbraw/zinc/70/18/31/579701831.db2.gz VFYDSHHLYCPLFR-LJQANCHMSA-N 2 2 341.455 1.227 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000748818121 579701832 /nfs/dbraw/zinc/70/18/32/579701832.db2.gz VFYDSHHLYCPLFR-LJQANCHMSA-N 2 2 341.455 1.227 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC#C[C@H]3CCCCO3)C2)CC1 ZINC000893022534 591257865 /nfs/dbraw/zinc/25/78/65/591257865.db2.gz MAZWVIWZCPOFLN-FUHWJXTLSA-N 2 2 348.491 1.027 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC#C[C@H]3CCCCO3)C2)CC1 ZINC000893022534 591257867 /nfs/dbraw/zinc/25/78/67/591257867.db2.gz MAZWVIWZCPOFLN-FUHWJXTLSA-N 2 2 348.491 1.027 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000900035894 591877283 /nfs/dbraw/zinc/87/72/83/591877283.db2.gz RAIOIMDERFNEIE-UHFFFAOYSA-N 2 2 341.459 1.486 20 30 EDEDLP CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000905707054 592617941 /nfs/dbraw/zinc/61/79/41/592617941.db2.gz XJKIRVMQIHRROZ-ZWKOTPCHSA-N 2 2 330.476 2.000 20 30 EDEDLP CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[NH+](C)C)cc1 ZINC000905707043 592617960 /nfs/dbraw/zinc/61/79/60/592617960.db2.gz XJKIRVMQIHRROZ-MSOLQXFVSA-N 2 2 330.476 2.000 20 30 EDEDLP C=CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819346102 593751497 /nfs/dbraw/zinc/75/14/97/593751497.db2.gz SQERNDSTISQKCY-SFHVURJKSA-N 2 2 347.503 1.980 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827323977 594661136 /nfs/dbraw/zinc/66/11/36/594661136.db2.gz VMKHPEBLKKVDLY-BHIYHBOVSA-N 2 2 349.519 1.820 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827323977 594661137 /nfs/dbraw/zinc/66/11/37/594661137.db2.gz VMKHPEBLKKVDLY-BHIYHBOVSA-N 2 2 349.519 1.820 20 30 EDEDLP Fc1cc(C=[NH+]NCCCn2cc[nH+]c2)ccc1N1CCOCC1 ZINC000848419141 595376157 /nfs/dbraw/zinc/37/61/57/595376157.db2.gz ZOEWQLMSOOEJOY-UHFFFAOYSA-N 2 2 331.395 1.873 20 30 EDEDLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867978954 596642521 /nfs/dbraw/zinc/64/25/21/596642521.db2.gz BJNINNOVHMRUNV-ROUUACIJSA-N 2 2 326.444 1.544 20 30 EDEDLP Cc1cc(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)nc(N)[nH+]1 ZINC000872420941 596902614 /nfs/dbraw/zinc/90/26/14/596902614.db2.gz RYCBCSJEODGYGT-UHFFFAOYSA-N 2 2 339.403 1.092 20 30 EDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177714 697873133 /nfs/dbraw/zinc/87/31/33/697873133.db2.gz PCPJDRQRFUBWQL-KBXCAEBGSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177714 697873136 /nfs/dbraw/zinc/87/31/36/697873136.db2.gz PCPJDRQRFUBWQL-KBXCAEBGSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939407689 699562120 /nfs/dbraw/zinc/56/21/20/699562120.db2.gz ICOZJQFRLOJSFM-BLLLJJGKSA-N 2 2 341.390 1.600 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000996716189 703014720 /nfs/dbraw/zinc/01/47/20/703014720.db2.gz PUQLPOOLQARHDB-KRWDZBQOSA-N 2 2 337.427 1.782 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956709 709138558 /nfs/dbraw/zinc/13/85/58/709138558.db2.gz IDDYAMLYNICQLR-DLBZAZTESA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956709 709138562 /nfs/dbraw/zinc/13/85/62/709138562.db2.gz IDDYAMLYNICQLR-DLBZAZTESA-N 2 2 328.460 1.700 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644821 712152770 /nfs/dbraw/zinc/15/27/70/712152770.db2.gz JULZJWRMQORMCV-IXDOHACOSA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644821 712152773 /nfs/dbraw/zinc/15/27/73/712152773.db2.gz JULZJWRMQORMCV-IXDOHACOSA-N 2 2 328.460 1.802 20 30 EDEDLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)N1CC[NH+](C)CC1 ZINC000329414810 539434425 /nfs/dbraw/zinc/43/44/25/539434425.db2.gz FEEBHSIJJUURSL-HNNXBMFYSA-N 2 2 347.463 1.011 20 30 EDEDLP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857262 203057671 /nfs/dbraw/zinc/05/76/71/203057671.db2.gz KBMNVLOGJIDWJQ-GOSISDBHSA-N 2 2 329.444 1.981 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074007 250169564 /nfs/dbraw/zinc/16/95/64/250169564.db2.gz OOEHARVRLDOION-OAHLLOKOSA-N 2 2 347.463 1.776 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(F)cc1 ZINC000424143667 252140846 /nfs/dbraw/zinc/14/08/46/252140846.db2.gz WSCIHQMULUHMGU-LSDHHAIUSA-N 2 2 329.379 1.786 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC000490759927 255105316 /nfs/dbraw/zinc/10/53/16/255105316.db2.gz IGHGIRIBBUUWBK-GOSISDBHSA-N 2 2 341.455 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC000490759927 255105318 /nfs/dbraw/zinc/10/53/18/255105318.db2.gz IGHGIRIBBUUWBK-GOSISDBHSA-N 2 2 341.455 1.610 20 30 EDEDLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626748 151090902 /nfs/dbraw/zinc/09/09/02/151090902.db2.gz LZEORACUWYNFDO-CRAIPNDOSA-N 2 2 347.459 1.075 20 30 EDEDLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626748 151090905 /nfs/dbraw/zinc/09/09/05/151090905.db2.gz LZEORACUWYNFDO-CRAIPNDOSA-N 2 2 347.459 1.075 20 30 EDEDLP C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000358496559 151394658 /nfs/dbraw/zinc/39/46/58/151394658.db2.gz JECMZFRHSRQWCY-OAHLLOKOSA-N 2 2 329.448 1.336 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000372421353 156380913 /nfs/dbraw/zinc/38/09/13/156380913.db2.gz KMENETZUAQTWSE-ZDUSSCGKSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000372421353 156380915 /nfs/dbraw/zinc/38/09/15/156380915.db2.gz KMENETZUAQTWSE-ZDUSSCGKSA-N 2 2 330.407 1.596 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000372424434 156382865 /nfs/dbraw/zinc/38/28/65/156382865.db2.gz FCFVMTLCZZMNRL-QAPCUYQASA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000372424434 156382869 /nfs/dbraw/zinc/38/28/69/156382869.db2.gz FCFVMTLCZZMNRL-QAPCUYQASA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282516438 267096190 /nfs/dbraw/zinc/09/61/90/267096190.db2.gz ZIELWPMXLBNOKU-KSSFIOAISA-N 2 2 326.444 1.779 20 30 EDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000305069788 268214088 /nfs/dbraw/zinc/21/40/88/268214088.db2.gz KSZOPOVTRFOWNS-PKOBYXMFSA-N 2 2 329.444 1.636 20 30 EDEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000305069788 268214089 /nfs/dbraw/zinc/21/40/89/268214089.db2.gz KSZOPOVTRFOWNS-PKOBYXMFSA-N 2 2 329.444 1.636 20 30 EDEDLP N#CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057876235 441140289 /nfs/dbraw/zinc/14/02/89/441140289.db2.gz URNLNIYEPJKXFK-UHFFFAOYSA-N 2 2 326.444 1.566 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCOc2ccccc2)CC1 ZINC000081649160 441299379 /nfs/dbraw/zinc/29/93/79/441299379.db2.gz QRHHIJFCGMYINK-UHFFFAOYSA-N 2 2 329.444 1.165 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCOc2ccccc2)CC1 ZINC000081649160 441299382 /nfs/dbraw/zinc/29/93/82/441299382.db2.gz QRHHIJFCGMYINK-UHFFFAOYSA-N 2 2 329.444 1.165 20 30 EDEDLP Cn1cc[nH+]c1CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115542898 441755129 /nfs/dbraw/zinc/75/51/29/441755129.db2.gz AQQXTENBEUOOHM-SFHVURJKSA-N 2 2 337.427 1.773 20 30 EDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268927030 443148366 /nfs/dbraw/zinc/14/83/66/443148366.db2.gz PZQCGQXRALJXTA-CRAIPNDOSA-N 2 2 329.444 1.689 20 30 EDEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268927030 443148370 /nfs/dbraw/zinc/14/83/70/443148370.db2.gz PZQCGQXRALJXTA-CRAIPNDOSA-N 2 2 329.444 1.689 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000269004305 443170461 /nfs/dbraw/zinc/17/04/61/443170461.db2.gz PXUHNJYJBDRZHY-SFHVURJKSA-N 2 2 342.443 1.327 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000269004305 443170465 /nfs/dbraw/zinc/17/04/65/443170465.db2.gz PXUHNJYJBDRZHY-SFHVURJKSA-N 2 2 342.443 1.327 20 30 EDEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000261973031 443177421 /nfs/dbraw/zinc/17/74/21/443177421.db2.gz DUOWZAUUVSYEQV-LBPRGKRZSA-N 2 2 332.326 1.642 20 30 EDEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000261973031 443177422 /nfs/dbraw/zinc/17/74/22/443177422.db2.gz DUOWZAUUVSYEQV-LBPRGKRZSA-N 2 2 332.326 1.642 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416087 443224892 /nfs/dbraw/zinc/22/48/92/443224892.db2.gz DWPXSZNBKHXWFI-IEBWSBKVSA-N 2 2 349.523 1.143 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416087 443224895 /nfs/dbraw/zinc/22/48/95/443224895.db2.gz DWPXSZNBKHXWFI-IEBWSBKVSA-N 2 2 349.523 1.143 20 30 EDEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992194 450400849 /nfs/dbraw/zinc/40/08/49/450400849.db2.gz KEQOSIMVEFKRTJ-IRXDYDNUSA-N 2 2 327.476 1.944 20 30 EDEDLP COc1ccc(CCNC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000267457942 443464559 /nfs/dbraw/zinc/46/45/59/443464559.db2.gz UFEIYNZWLOROSY-UHFFFAOYSA-N 2 2 330.436 1.142 20 30 EDEDLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273573378 443580652 /nfs/dbraw/zinc/58/06/52/443580652.db2.gz PDKONJNOQIIVDN-UHFFFAOYSA-N 2 2 349.438 1.977 20 30 EDEDLP C#CC[NH+](CC#C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000299310896 444014311 /nfs/dbraw/zinc/01/43/11/444014311.db2.gz OUHDLRYYJLQYQY-GOSISDBHSA-N 2 2 337.467 1.724 20 30 EDEDLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555254556 320964912 /nfs/dbraw/zinc/96/49/12/320964912.db2.gz DXVJHYAIUIWKAJ-KDOFPFPSSA-N 2 2 326.444 1.637 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000321981494 444338417 /nfs/dbraw/zinc/33/84/17/444338417.db2.gz UCYGLAJVODNHKJ-JKSUJKDBSA-N 2 2 333.457 1.548 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000321981494 444338418 /nfs/dbraw/zinc/33/84/18/444338418.db2.gz UCYGLAJVODNHKJ-JKSUJKDBSA-N 2 2 333.457 1.548 20 30 EDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329380241 444556801 /nfs/dbraw/zinc/55/68/01/444556801.db2.gz NGVHTHWUNBAXFJ-UHFFFAOYSA-N 2 2 342.447 1.826 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000333887104 444708928 /nfs/dbraw/zinc/70/89/28/444708928.db2.gz XJOSXQTUHDNOMX-GOSISDBHSA-N 2 2 341.459 1.528 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNc3cnccn3)CC2)cc1 ZINC000344147714 444806827 /nfs/dbraw/zinc/80/68/27/444806827.db2.gz TWOOZOFLVITRCU-UHFFFAOYSA-N 2 2 336.443 2.014 20 30 EDEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000342802889 444873245 /nfs/dbraw/zinc/87/32/45/444873245.db2.gz RNSNFZDRLLDJCH-UHFFFAOYSA-N 2 2 345.443 1.944 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284953 444922105 /nfs/dbraw/zinc/92/21/05/444922105.db2.gz YEHJKHFDKBCWBA-BBWFWOEESA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284953 444922107 /nfs/dbraw/zinc/92/21/07/444922107.db2.gz YEHJKHFDKBCWBA-BBWFWOEESA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284953 444922110 /nfs/dbraw/zinc/92/21/10/444922110.db2.gz YEHJKHFDKBCWBA-BBWFWOEESA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284953 444922113 /nfs/dbraw/zinc/92/21/13/444922113.db2.gz YEHJKHFDKBCWBA-BBWFWOEESA-N 2 2 339.480 1.553 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346516504 445217588 /nfs/dbraw/zinc/21/75/88/445217588.db2.gz YYBUHNRBVNPOCQ-SZMVWBNQSA-N 2 2 335.492 1.595 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346516504 445217589 /nfs/dbraw/zinc/21/75/89/445217589.db2.gz YYBUHNRBVNPOCQ-SZMVWBNQSA-N 2 2 335.492 1.595 20 30 EDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347539808 445242239 /nfs/dbraw/zinc/24/22/39/445242239.db2.gz UFPHNHXEJAEVIK-KRWDZBQOSA-N 2 2 331.464 1.306 20 30 EDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347539808 445242240 /nfs/dbraw/zinc/24/22/40/445242240.db2.gz UFPHNHXEJAEVIK-KRWDZBQOSA-N 2 2 331.464 1.306 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347539808 445242241 /nfs/dbraw/zinc/24/22/41/445242241.db2.gz UFPHNHXEJAEVIK-KRWDZBQOSA-N 2 2 331.464 1.306 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347539808 445242242 /nfs/dbraw/zinc/24/22/42/445242242.db2.gz UFPHNHXEJAEVIK-KRWDZBQOSA-N 2 2 331.464 1.306 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364030369 445891092 /nfs/dbraw/zinc/89/10/92/445891092.db2.gz CYGLDTUYVMFRSX-MRXNPFEDSA-N 2 2 328.460 1.158 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364700570 445946840 /nfs/dbraw/zinc/94/68/40/445946840.db2.gz BASHLJPMLDRFHO-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364700570 445946845 /nfs/dbraw/zinc/94/68/45/445946845.db2.gz BASHLJPMLDRFHO-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364700570 445946851 /nfs/dbraw/zinc/94/68/51/445946851.db2.gz BASHLJPMLDRFHO-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364700570 445946854 /nfs/dbraw/zinc/94/68/54/445946854.db2.gz BASHLJPMLDRFHO-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364700564 445947301 /nfs/dbraw/zinc/94/73/01/445947301.db2.gz BASHLJPMLDRFHO-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364700564 445947306 /nfs/dbraw/zinc/94/73/06/445947306.db2.gz BASHLJPMLDRFHO-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364700564 445947310 /nfs/dbraw/zinc/94/73/10/445947310.db2.gz BASHLJPMLDRFHO-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364700564 445947314 /nfs/dbraw/zinc/94/73/14/445947314.db2.gz BASHLJPMLDRFHO-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370133590 446185667 /nfs/dbraw/zinc/18/56/67/446185667.db2.gz SEKUKJWOGAZQMH-GOSISDBHSA-N 2 2 335.492 1.787 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370133590 446185675 /nfs/dbraw/zinc/18/56/75/446185675.db2.gz SEKUKJWOGAZQMH-GOSISDBHSA-N 2 2 335.492 1.787 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437872234 446768256 /nfs/dbraw/zinc/76/82/56/446768256.db2.gz XJRCNMPXLCGZIG-SFHVURJKSA-N 2 2 325.497 1.700 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437872234 446768262 /nfs/dbraw/zinc/76/82/62/446768262.db2.gz XJRCNMPXLCGZIG-SFHVURJKSA-N 2 2 325.497 1.700 20 30 EDEDLP N#Cc1ncn(CC[NH2+][C@@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)n1 ZINC000376905598 446788299 /nfs/dbraw/zinc/78/82/99/446788299.db2.gz VIWYZIVCUQQORD-MSOLQXFVSA-N 2 2 336.443 1.792 20 30 EDEDLP N#Cc1ncn(CC[NH2+][C@@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)n1 ZINC000376905598 446788302 /nfs/dbraw/zinc/78/83/02/446788302.db2.gz VIWYZIVCUQQORD-MSOLQXFVSA-N 2 2 336.443 1.792 20 30 EDEDLP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000571277878 448125981 /nfs/dbraw/zinc/12/59/81/448125981.db2.gz YZISEGMZIKGPBY-AWEZNQCLSA-N 2 2 337.489 1.898 20 30 EDEDLP CN1CC[N@@H+](C)Cc2ccc(NC[C@@H](O)C[NH+](C)CCC#N)cc21 ZINC000576746277 448130953 /nfs/dbraw/zinc/13/09/53/448130953.db2.gz FIPKOMKAZHIIHP-QGZVFWFLSA-N 2 2 331.464 1.186 20 30 EDEDLP CN1CC[NH+](C)Cc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc21 ZINC000576746277 448130956 /nfs/dbraw/zinc/13/09/56/448130956.db2.gz FIPKOMKAZHIIHP-QGZVFWFLSA-N 2 2 331.464 1.186 20 30 EDEDLP CN1CC[NH+](C)Cc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000576746277 448130961 /nfs/dbraw/zinc/13/09/61/448130961.db2.gz FIPKOMKAZHIIHP-QGZVFWFLSA-N 2 2 331.464 1.186 20 30 EDEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563806452 448314566 /nfs/dbraw/zinc/31/45/66/448314566.db2.gz VXUZAQRJXJNZBR-INIZCTEOSA-N 2 2 329.448 1.531 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000563012561 448281018 /nfs/dbraw/zinc/28/10/18/448281018.db2.gz UXYUWJHNRZZDBV-HUUCEWRRSA-N 2 2 326.400 1.363 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000563012561 448281025 /nfs/dbraw/zinc/28/10/25/448281025.db2.gz UXYUWJHNRZZDBV-HUUCEWRRSA-N 2 2 326.400 1.363 20 30 EDEDLP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000600718217 449515899 /nfs/dbraw/zinc/51/58/99/449515899.db2.gz OMLQCWSQYGRDFQ-IBGZPJMESA-N 2 2 342.487 1.843 20 30 EDEDLP C=CCCSCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000595057705 449852150 /nfs/dbraw/zinc/85/21/50/449852150.db2.gz CSKKHHBRYUAPAY-UHFFFAOYSA-N 2 2 327.538 1.682 20 30 EDEDLP C=CCCSCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000595057705 449852156 /nfs/dbraw/zinc/85/21/56/449852156.db2.gz CSKKHHBRYUAPAY-UHFFFAOYSA-N 2 2 327.538 1.682 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000636575176 451316131 /nfs/dbraw/zinc/31/61/31/451316131.db2.gz WQMBYOZEXIVTRP-NVXWUHKLSA-N 2 2 331.464 1.806 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cccc(C#N)c3)C2)CC1 ZINC000732780967 578727557 /nfs/dbraw/zinc/72/75/57/578727557.db2.gz NVEYMWIEMOKHFM-INIZCTEOSA-N 2 2 342.443 1.222 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cccc(C#N)c3)C2)CC1 ZINC000732780967 578727558 /nfs/dbraw/zinc/72/75/58/578727558.db2.gz NVEYMWIEMOKHFM-INIZCTEOSA-N 2 2 342.443 1.222 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000895812195 591278834 /nfs/dbraw/zinc/27/88/34/591278834.db2.gz NZQBQSGAAIEHCK-LSDHHAIUSA-N 2 2 329.448 1.193 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000895812195 591278836 /nfs/dbraw/zinc/27/88/36/591278836.db2.gz NZQBQSGAAIEHCK-LSDHHAIUSA-N 2 2 329.448 1.193 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823559 592334541 /nfs/dbraw/zinc/33/45/41/592334541.db2.gz HPVTXNOEGHQBIQ-GBESFXJTSA-N 2 2 327.428 1.700 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823559 592334543 /nfs/dbraw/zinc/33/45/43/592334543.db2.gz HPVTXNOEGHQBIQ-GBESFXJTSA-N 2 2 327.428 1.700 20 30 EDEDLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)n1 ZINC000905534273 592554710 /nfs/dbraw/zinc/55/47/10/592554710.db2.gz WJGXMXWXWPNCFE-OAHLLOKOSA-N 2 2 346.456 1.606 20 30 EDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000905525741 592560968 /nfs/dbraw/zinc/56/09/68/592560968.db2.gz OWZDPSAVPGUKKE-QGZVFWFLSA-N 2 2 326.400 1.549 20 30 EDEDLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccnc1 ZINC000905550285 592572593 /nfs/dbraw/zinc/57/25/93/592572593.db2.gz ITSSLRCPEIHJML-MSOLQXFVSA-N 2 2 346.475 1.735 20 30 EDEDLP C#Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000836319237 594951048 /nfs/dbraw/zinc/95/10/48/594951048.db2.gz RWHJTKLNIXSMJK-GOSISDBHSA-N 2 2 340.471 1.636 20 30 EDEDLP C#Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000836319237 594951051 /nfs/dbraw/zinc/95/10/51/594951051.db2.gz RWHJTKLNIXSMJK-GOSISDBHSA-N 2 2 340.471 1.636 20 30 EDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910040 595335805 /nfs/dbraw/zinc/33/58/05/595335805.db2.gz AUAMTFUQFDORLX-KXBFYZLASA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910040 595335808 /nfs/dbraw/zinc/33/58/08/595335808.db2.gz AUAMTFUQFDORLX-KXBFYZLASA-N 2 2 329.444 1.777 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000859883800 596215064 /nfs/dbraw/zinc/21/50/64/596215064.db2.gz MKEXYANZYOYZMK-UHFFFAOYSA-N 2 2 342.487 1.978 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133369 596763886 /nfs/dbraw/zinc/76/38/86/596763886.db2.gz VPFBEBYNUQOLGC-SFHVURJKSA-N 2 2 327.428 1.134 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133369 596763889 /nfs/dbraw/zinc/76/38/89/596763889.db2.gz VPFBEBYNUQOLGC-SFHVURJKSA-N 2 2 327.428 1.134 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729087 597309830 /nfs/dbraw/zinc/30/98/30/597309830.db2.gz DQNGGBQFBRQHDR-ACJLOTCBSA-N 2 2 337.427 1.703 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876743059 597317258 /nfs/dbraw/zinc/31/72/58/597317258.db2.gz XOMVRGQXASDVHK-OAHLLOKOSA-N 3 2 328.888 1.131 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000876785318 597339302 /nfs/dbraw/zinc/33/93/02/597339302.db2.gz UTWHLEHRNTVGDJ-HNNXBMFYSA-N 3 2 342.915 1.523 20 30 EDEDLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994504015 696941703 /nfs/dbraw/zinc/94/17/03/696941703.db2.gz GADJVIPZGJOCMV-CRAIPNDOSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994504015 696941706 /nfs/dbraw/zinc/94/17/06/696941706.db2.gz GADJVIPZGJOCMV-CRAIPNDOSA-N 2 2 337.427 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)onc2CC)C1 ZINC001031741391 698315619 /nfs/dbraw/zinc/31/56/19/698315619.db2.gz YLPSXIIWKOSADW-SFHVURJKSA-N 2 2 344.459 1.191 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)onc2CC)C1 ZINC001031741391 698315620 /nfs/dbraw/zinc/31/56/20/698315620.db2.gz YLPSXIIWKOSADW-SFHVURJKSA-N 2 2 344.459 1.191 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850937 700952003 /nfs/dbraw/zinc/95/20/03/700952003.db2.gz QFNMXGVDOYUUOK-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850937 700952004 /nfs/dbraw/zinc/95/20/04/700952004.db2.gz QFNMXGVDOYUUOK-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001031921214 701061483 /nfs/dbraw/zinc/06/14/83/701061483.db2.gz KEZIRSFHNRDXRB-PXNSSMCTSA-N 2 2 339.483 1.816 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001031921214 701061484 /nfs/dbraw/zinc/06/14/84/701061484.db2.gz KEZIRSFHNRDXRB-PXNSSMCTSA-N 2 2 339.483 1.816 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031977562 702024788 /nfs/dbraw/zinc/02/47/88/702024788.db2.gz CWTUPUYVBMZCCG-DYVFJYSZSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031977562 702024794 /nfs/dbraw/zinc/02/47/94/702024794.db2.gz CWTUPUYVBMZCCG-DYVFJYSZSA-N 2 2 344.434 1.443 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120436 702285802 /nfs/dbraw/zinc/28/58/02/702285802.db2.gz FACSLCFQIMTLBO-GDBMZVCRSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120436 702285804 /nfs/dbraw/zinc/28/58/04/702285804.db2.gz FACSLCFQIMTLBO-GDBMZVCRSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946697870 707155241 /nfs/dbraw/zinc/15/52/41/707155241.db2.gz ZXHIOOLUEVPXRQ-CEXWTWQISA-N 2 2 349.519 1.844 20 30 EDEDLP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946697870 707155243 /nfs/dbraw/zinc/15/52/43/707155243.db2.gz ZXHIOOLUEVPXRQ-CEXWTWQISA-N 2 2 349.519 1.844 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697870 707155248 /nfs/dbraw/zinc/15/52/48/707155248.db2.gz ZXHIOOLUEVPXRQ-CEXWTWQISA-N 2 2 349.519 1.844 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697870 707155253 /nfs/dbraw/zinc/15/52/53/707155253.db2.gz ZXHIOOLUEVPXRQ-CEXWTWQISA-N 2 2 349.519 1.844 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033580508 708261172 /nfs/dbraw/zinc/26/11/72/708261172.db2.gz UMUVPNPTUVVCOB-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033580508 708261176 /nfs/dbraw/zinc/26/11/76/708261176.db2.gz UMUVPNPTUVVCOB-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001995527 708510353 /nfs/dbraw/zinc/51/03/53/708510353.db2.gz SPTKAQYPGSOADC-UHFFFAOYSA-N 2 2 337.427 1.732 20 30 EDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034013613 709227833 /nfs/dbraw/zinc/22/78/33/709227833.db2.gz DWQGBWKTRIKAMM-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034013613 709227836 /nfs/dbraw/zinc/22/78/36/709227836.db2.gz DWQGBWKTRIKAMM-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034663510 710332981 /nfs/dbraw/zinc/33/29/81/710332981.db2.gz BJZZRLIRZAOTDM-DZKIICNBSA-N 2 2 347.488 1.153 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034663510 710332984 /nfs/dbraw/zinc/33/29/84/710332984.db2.gz BJZZRLIRZAOTDM-DZKIICNBSA-N 2 2 347.488 1.153 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468670 711844114 /nfs/dbraw/zinc/84/41/14/711844114.db2.gz JPINDIPGKRFTLI-HKUYNNGSSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468670 711844116 /nfs/dbraw/zinc/84/41/16/711844116.db2.gz JPINDIPGKRFTLI-HKUYNNGSSA-N 2 2 340.471 1.782 20 30 EDEDLP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004598153 712041317 /nfs/dbraw/zinc/04/13/17/712041317.db2.gz UTJPIZHFLFHEHV-QGZVFWFLSA-N 2 2 341.459 1.988 20 30 EDEDLP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004598153 712041318 /nfs/dbraw/zinc/04/13/18/712041318.db2.gz UTJPIZHFLFHEHV-QGZVFWFLSA-N 2 2 341.459 1.988 20 30 EDEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362688445 250183352 /nfs/dbraw/zinc/18/33/52/250183352.db2.gz ZOKVYYLFUCYELP-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362688445 250183356 /nfs/dbraw/zinc/18/33/56/250183356.db2.gz ZOKVYYLFUCYELP-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000490719410 255102322 /nfs/dbraw/zinc/10/23/22/255102322.db2.gz MNQPVKNPCQQYTO-OALUTQOASA-N 2 2 325.456 1.690 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000490760828 255105147 /nfs/dbraw/zinc/10/51/47/255105147.db2.gz PJBDHWCCTRJIGP-GOSISDBHSA-N 2 2 333.476 1.187 20 30 EDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000355650446 150350745 /nfs/dbraw/zinc/35/07/45/150350745.db2.gz AWEYCASZLVYUSV-UHFFFAOYSA-N 2 2 348.410 1.932 20 30 EDEDLP COc1c[nH+]ccc1N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000355650446 150350748 /nfs/dbraw/zinc/35/07/48/150350748.db2.gz AWEYCASZLVYUSV-UHFFFAOYSA-N 2 2 348.410 1.932 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3C#N)C2)CC1 ZINC000364204854 153173077 /nfs/dbraw/zinc/17/30/77/153173077.db2.gz BXOGZVAHBXUGMW-INIZCTEOSA-N 2 2 342.443 1.222 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3C#N)C2)CC1 ZINC000364204854 153173078 /nfs/dbraw/zinc/17/30/78/153173078.db2.gz BXOGZVAHBXUGMW-INIZCTEOSA-N 2 2 342.443 1.222 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CCOc3ccccc3C#N)CC2)C(=O)C1 ZINC000374742697 157384816 /nfs/dbraw/zinc/38/48/16/157384816.db2.gz KEZYYKGESHRPJG-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CCOc3ccccc3C#N)CC2)C(=O)C1 ZINC000374742697 157384819 /nfs/dbraw/zinc/38/48/19/157384819.db2.gz KEZYYKGESHRPJG-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408426883 158358767 /nfs/dbraw/zinc/35/87/67/158358767.db2.gz LRQCZVLLLONQMI-CQSZACIVSA-N 2 2 342.443 1.504 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408426883 158358770 /nfs/dbraw/zinc/35/87/70/158358770.db2.gz LRQCZVLLLONQMI-CQSZACIVSA-N 2 2 342.443 1.504 20 30 EDEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(=O)N1 ZINC000453447174 267902784 /nfs/dbraw/zinc/90/27/84/267902784.db2.gz ZEEOYHLQWNJTQC-LJQANCHMSA-N 2 2 326.444 1.781 20 30 EDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159779672 441836813 /nfs/dbraw/zinc/83/68/13/441836813.db2.gz ZKFZWJWINNTWJW-KMFMINBZSA-N 2 2 343.406 1.996 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440871 442048622 /nfs/dbraw/zinc/04/86/22/442048622.db2.gz LDKUCKQRTPCLGX-INIZCTEOSA-N 2 2 343.475 1.990 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440871 442048627 /nfs/dbraw/zinc/04/86/27/442048627.db2.gz LDKUCKQRTPCLGX-INIZCTEOSA-N 2 2 343.475 1.990 20 30 EDEDLP C[NH+](C)C[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182066139 442733002 /nfs/dbraw/zinc/73/30/02/442733002.db2.gz OVBDVIBUSXRHFH-LJQANCHMSA-N 3 2 330.476 1.425 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000269004303 443170800 /nfs/dbraw/zinc/17/08/00/443170800.db2.gz PXUHNJYJBDRZHY-GOSISDBHSA-N 2 2 342.443 1.327 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000269004303 443170803 /nfs/dbraw/zinc/17/08/03/443170803.db2.gz PXUHNJYJBDRZHY-GOSISDBHSA-N 2 2 342.443 1.327 20 30 EDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266867707 443272545 /nfs/dbraw/zinc/27/25/45/443272545.db2.gz NWKXXBYGYBAHEF-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266867707 443272550 /nfs/dbraw/zinc/27/25/50/443272550.db2.gz NWKXXBYGYBAHEF-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266867707 443272554 /nfs/dbraw/zinc/27/25/54/443272554.db2.gz NWKXXBYGYBAHEF-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266867707 443272556 /nfs/dbraw/zinc/27/25/56/443272556.db2.gz NWKXXBYGYBAHEF-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000266887294 443280323 /nfs/dbraw/zinc/28/03/23/443280323.db2.gz BUYVKCOTYYNKMF-UHFFFAOYSA-N 2 2 338.415 1.443 20 30 EDEDLP CC1CCN(C(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000267020169 443315003 /nfs/dbraw/zinc/31/50/03/443315003.db2.gz QKVURYUBEVCOOM-UHFFFAOYSA-N 2 2 332.448 1.644 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000280004646 443654886 /nfs/dbraw/zinc/65/48/86/443654886.db2.gz TWGZFMIAKSCWGX-KBPBESRZSA-N 2 2 331.395 1.929 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000280004646 443654890 /nfs/dbraw/zinc/65/48/90/443654890.db2.gz TWGZFMIAKSCWGX-KBPBESRZSA-N 2 2 331.395 1.929 20 30 EDEDLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)cc1 ZINC000287280252 443739868 /nfs/dbraw/zinc/73/98/68/443739868.db2.gz RMSOFEPDEAVXCH-QGZVFWFLSA-N 2 2 334.464 1.723 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388456 443897667 /nfs/dbraw/zinc/89/76/67/443897667.db2.gz PPPCMDOUCYKUCR-HZPDHXFCSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388456 443897669 /nfs/dbraw/zinc/89/76/69/443897669.db2.gz PPPCMDOUCYKUCR-HZPDHXFCSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388456 443897672 /nfs/dbraw/zinc/89/76/72/443897672.db2.gz PPPCMDOUCYKUCR-HZPDHXFCSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388456 443897675 /nfs/dbraw/zinc/89/76/75/443897675.db2.gz PPPCMDOUCYKUCR-HZPDHXFCSA-N 2 2 348.516 1.992 20 30 EDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000562956998 321083465 /nfs/dbraw/zinc/08/34/65/321083465.db2.gz HWRCHNRSNKAZDP-JLSDUUJJSA-N 2 2 342.443 1.016 20 30 EDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000289767704 444200888 /nfs/dbraw/zinc/20/08/88/444200888.db2.gz LYTWHBSMPSHBRB-INIZCTEOSA-N 2 2 347.434 1.996 20 30 EDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000289767704 444200890 /nfs/dbraw/zinc/20/08/90/444200890.db2.gz LYTWHBSMPSHBRB-INIZCTEOSA-N 2 2 347.434 1.996 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000328668112 444421561 /nfs/dbraw/zinc/42/15/61/444421561.db2.gz DLXHEUTWRNGIOO-CVEARBPZSA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC000328668112 444421565 /nfs/dbraw/zinc/42/15/65/444421565.db2.gz DLXHEUTWRNGIOO-CVEARBPZSA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329090932 444469593 /nfs/dbraw/zinc/46/95/93/444469593.db2.gz WRLYNWGMQSFTEO-FVQBIDKESA-N 2 2 349.479 1.874 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329090932 444469596 /nfs/dbraw/zinc/46/95/96/444469596.db2.gz WRLYNWGMQSFTEO-FVQBIDKESA-N 2 2 349.479 1.874 20 30 EDEDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333881794 444707740 /nfs/dbraw/zinc/70/77/40/444707740.db2.gz WHONLVNKXHMBEW-MAUKXSAKSA-N 2 2 341.459 1.526 20 30 EDEDLP CCN1CCN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329964678 444789568 /nfs/dbraw/zinc/78/95/68/444789568.db2.gz QSRLPAPSJGLVGH-INIZCTEOSA-N 2 2 348.495 1.734 20 30 EDEDLP C=CC[C@@H](CO)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000341799293 445006428 /nfs/dbraw/zinc/00/64/28/445006428.db2.gz FOOQWWNVBDCIMA-OAHLLOKOSA-N 2 2 338.496 1.029 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000354935963 445434860 /nfs/dbraw/zinc/43/48/60/445434860.db2.gz TWGZFMIAKSCWGX-UONOGXRCSA-N 2 2 331.395 1.929 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000354935963 445434862 /nfs/dbraw/zinc/43/48/62/445434862.db2.gz TWGZFMIAKSCWGX-UONOGXRCSA-N 2 2 331.395 1.929 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363147922 445696225 /nfs/dbraw/zinc/69/62/25/445696225.db2.gz CDEQMCFBINJHKH-GOSISDBHSA-N 2 2 345.491 1.840 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363147922 445696226 /nfs/dbraw/zinc/69/62/26/445696226.db2.gz CDEQMCFBINJHKH-GOSISDBHSA-N 2 2 345.491 1.840 20 30 EDEDLP C[NH+](C)CCOCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000361457001 445769209 /nfs/dbraw/zinc/76/92/09/445769209.db2.gz PGNGWEANQKNZLK-UHFFFAOYSA-N 3 2 330.476 1.690 20 30 EDEDLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418586997 446603558 /nfs/dbraw/zinc/60/35/58/446603558.db2.gz BQEQGRJRVYEOOS-OAHLLOKOSA-N 2 2 329.448 1.383 20 30 EDEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372660670 447210538 /nfs/dbraw/zinc/21/05/38/447210538.db2.gz QVJZIMOIFLKGTL-KRWDZBQOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372660670 447210544 /nfs/dbraw/zinc/21/05/44/447210544.db2.gz QVJZIMOIFLKGTL-KRWDZBQOSA-N 2 2 327.432 1.194 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459026771 447544288 /nfs/dbraw/zinc/54/42/88/447544288.db2.gz MIDKMPWRGLEGJM-UAGQMJEPSA-N 2 2 336.480 1.140 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459026771 447544294 /nfs/dbraw/zinc/54/42/94/447544294.db2.gz MIDKMPWRGLEGJM-UAGQMJEPSA-N 2 2 336.480 1.140 20 30 EDEDLP C#CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000490840932 447898629 /nfs/dbraw/zinc/89/86/29/447898629.db2.gz QIQGNGLYPWKLAS-UHFFFAOYSA-N 2 2 335.492 1.481 20 30 EDEDLP C#CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000490840932 447898638 /nfs/dbraw/zinc/89/86/38/447898638.db2.gz QIQGNGLYPWKLAS-UHFFFAOYSA-N 2 2 335.492 1.481 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000490912618 447908815 /nfs/dbraw/zinc/90/88/15/447908815.db2.gz APWUJTJAZBPXJB-KRWDZBQOSA-N 2 2 343.471 1.902 20 30 EDEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000582429295 448238040 /nfs/dbraw/zinc/23/80/40/448238040.db2.gz OVDNODCGYBWEQC-GOSISDBHSA-N 2 2 328.460 1.921 20 30 EDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000582900718 448372870 /nfs/dbraw/zinc/37/28/70/448372870.db2.gz BGRRQDPXNHFWAD-IAGOWNOFSA-N 2 2 327.428 1.956 20 30 EDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528416160 448519567 /nfs/dbraw/zinc/51/95/67/448519567.db2.gz GHMFCLYRDKLWNR-OAHLLOKOSA-N 2 2 348.406 1.889 20 30 EDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528416160 448519574 /nfs/dbraw/zinc/51/95/74/448519574.db2.gz GHMFCLYRDKLWNR-OAHLLOKOSA-N 2 2 348.406 1.889 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528430095 448526046 /nfs/dbraw/zinc/52/60/46/448526046.db2.gz VZJWNTDSKKHYBF-JKSUJKDBSA-N 2 2 326.400 1.521 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528430095 448526050 /nfs/dbraw/zinc/52/60/50/448526050.db2.gz VZJWNTDSKKHYBF-JKSUJKDBSA-N 2 2 326.400 1.521 20 30 EDEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611225142 449225333 /nfs/dbraw/zinc/22/53/33/449225333.db2.gz RXMHGPXMZOXJND-UHFFFAOYSA-N 2 2 326.404 1.751 20 30 EDEDLP Cc1cc(NCCn2cc[nH+]c2)c(C#N)c(NCCn2cc[nH+]c2)[nH+]1 ZINC000596060244 449341764 /nfs/dbraw/zinc/34/17/64/449341764.db2.gz SPVOAMOTHRMXMI-UHFFFAOYSA-N 3 2 336.403 1.879 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000611587893 449349498 /nfs/dbraw/zinc/34/94/98/449349498.db2.gz LOZDUKXBHSXQFF-NVXWUHKLSA-N 2 2 346.450 1.754 20 30 EDEDLP Cc1[nH+]ccn1CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000596284869 449455469 /nfs/dbraw/zinc/45/54/69/449455469.db2.gz GOUPTOBXVRMCKW-UHFFFAOYSA-N 2 2 341.415 1.147 20 30 EDEDLP C[NH+](C)CCC[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000597247911 449894940 /nfs/dbraw/zinc/89/49/40/449894940.db2.gz IPJSWSZKHOQZGX-QGZVFWFLSA-N 2 2 327.432 1.749 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973598 449975448 /nfs/dbraw/zinc/97/54/48/449975448.db2.gz BZUWWGDAAVXNTJ-GVDBMIGSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973598 449975456 /nfs/dbraw/zinc/97/54/56/449975456.db2.gz BZUWWGDAAVXNTJ-GVDBMIGSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973598 449975462 /nfs/dbraw/zinc/97/54/62/449975462.db2.gz BZUWWGDAAVXNTJ-GVDBMIGSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973598 449975469 /nfs/dbraw/zinc/97/54/69/449975469.db2.gz BZUWWGDAAVXNTJ-GVDBMIGSSA-N 2 2 336.480 1.083 20 30 EDEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C(C)(C)C#N ZINC000602989238 449984071 /nfs/dbraw/zinc/98/40/71/449984071.db2.gz ISQDPHSSJYQZHA-UHFFFAOYSA-N 2 2 328.460 1.694 20 30 EDEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C(C)(C)C#N ZINC000602989238 449984074 /nfs/dbraw/zinc/98/40/74/449984074.db2.gz ISQDPHSSJYQZHA-UHFFFAOYSA-N 2 2 328.460 1.694 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813427 450343481 /nfs/dbraw/zinc/34/34/81/450343481.db2.gz GWDAANLRFWOBRI-APWZRJJASA-N 2 2 327.476 1.870 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813427 450343483 /nfs/dbraw/zinc/34/34/83/450343483.db2.gz GWDAANLRFWOBRI-APWZRJJASA-N 2 2 327.476 1.870 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656183675 452945551 /nfs/dbraw/zinc/94/55/51/452945551.db2.gz NXKSPIOTMKMIQX-BBWFWOEESA-N 2 2 336.480 1.140 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656183675 452945557 /nfs/dbraw/zinc/94/55/57/452945557.db2.gz NXKSPIOTMKMIQX-BBWFWOEESA-N 2 2 336.480 1.140 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000743492070 579481834 /nfs/dbraw/zinc/48/18/34/579481834.db2.gz PAUOATQHHSPRDU-IBGZPJMESA-N 2 2 349.519 1.727 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000748824624 579702449 /nfs/dbraw/zinc/70/24/49/579702449.db2.gz NCBAESMNQJEKKX-ICSRJNTNSA-N 2 2 339.483 1.889 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000748824624 579702450 /nfs/dbraw/zinc/70/24/50/579702450.db2.gz NCBAESMNQJEKKX-ICSRJNTNSA-N 2 2 339.483 1.889 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cc(Cl)ccn3)cn2)CC1 ZINC000777907114 580452750 /nfs/dbraw/zinc/45/27/50/580452750.db2.gz RLOBFGXGNJRLGH-UHFFFAOYSA-N 2 2 331.811 1.723 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000775081353 580382475 /nfs/dbraw/zinc/38/24/75/580382475.db2.gz AKACRRYQQPTAKP-KRWDZBQOSA-N 2 2 329.444 1.513 20 30 EDEDLP C#C[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCCO1 ZINC000775793839 580400854 /nfs/dbraw/zinc/40/08/54/580400854.db2.gz FUARLAPCUIZWGH-BXWFABGCSA-N 2 2 327.428 1.784 20 30 EDEDLP CCN(CC)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776161626 580410098 /nfs/dbraw/zinc/41/00/98/580410098.db2.gz XRLRKWHTIDSZGE-UHFFFAOYSA-N 2 2 328.460 1.981 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1I ZINC000894863511 591449119 /nfs/dbraw/zinc/44/91/19/591449119.db2.gz GXJRUJBZWCPLDH-UHFFFAOYSA-N 2 2 346.216 1.069 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1I ZINC000894863511 591449120 /nfs/dbraw/zinc/44/91/20/591449120.db2.gz GXJRUJBZWCPLDH-UHFFFAOYSA-N 2 2 346.216 1.069 20 30 EDEDLP CCCN1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901416797 592357061 /nfs/dbraw/zinc/35/70/61/592357061.db2.gz GQVRVYMWRVWSKQ-MKFXEVHTSA-N 2 2 325.416 1.915 20 30 EDEDLP C#CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ncccn2)CC1 ZINC000905012072 592368077 /nfs/dbraw/zinc/36/80/77/592368077.db2.gz BNCWUNMLGQVWAR-UHFFFAOYSA-N 2 2 334.387 1.115 20 30 EDEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000906471418 592830290 /nfs/dbraw/zinc/83/02/90/592830290.db2.gz JEASJNFPIOEYCM-QGZVFWFLSA-N 2 2 336.480 1.183 20 30 EDEDLP CCC[N@H+]1CCC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000906471418 592830291 /nfs/dbraw/zinc/83/02/91/592830291.db2.gz JEASJNFPIOEYCM-QGZVFWFLSA-N 2 2 336.480 1.183 20 30 EDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000818952507 593730039 /nfs/dbraw/zinc/73/00/39/593730039.db2.gz OBTDCPPRUIWDHQ-GOSISDBHSA-N 2 2 339.443 1.448 20 30 EDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000818952507 593730040 /nfs/dbraw/zinc/73/00/40/593730040.db2.gz OBTDCPPRUIWDHQ-GOSISDBHSA-N 2 2 339.443 1.448 20 30 EDEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)n2)C1 ZINC000841017213 594839692 /nfs/dbraw/zinc/83/96/92/594839692.db2.gz TYMPVQRMDCXJFZ-DYEKYZERSA-N 2 2 348.476 1.608 20 30 EDEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)n2)C1 ZINC000841017213 594839694 /nfs/dbraw/zinc/83/96/94/594839694.db2.gz TYMPVQRMDCXJFZ-DYEKYZERSA-N 2 2 348.476 1.608 20 30 EDEDLP N#CC1(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000842024103 595004579 /nfs/dbraw/zinc/00/45/79/595004579.db2.gz KFPCDVLEAZCKOI-UHFFFAOYSA-N 2 2 328.416 1.850 20 30 EDEDLP NC(=[NH+]OCCC[C@@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842648694 595156545 /nfs/dbraw/zinc/15/65/45/595156545.db2.gz YFVJSTXTXVUQAS-QGZVFWFLSA-N 2 2 347.459 1.972 20 30 EDEDLP C[NH+](C)CCN1c2ccccc2C(=NNCCCn2cc[nH+]c2)C1=O ZINC000848417398 595375727 /nfs/dbraw/zinc/37/57/27/595375727.db2.gz YDKHQGGLMJTAHK-UHFFFAOYSA-N 2 2 340.431 1.175 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000852856809 595578246 /nfs/dbraw/zinc/57/82/46/595578246.db2.gz GHAVHHZHQRSQKT-GOSISDBHSA-N 2 2 340.402 1.768 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965594 595935726 /nfs/dbraw/zinc/93/57/26/595935726.db2.gz IMMBHQGWJLXXAD-QGZVFWFLSA-N 2 2 329.444 1.909 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853965594 595935728 /nfs/dbraw/zinc/93/57/28/595935728.db2.gz IMMBHQGWJLXXAD-QGZVFWFLSA-N 2 2 329.444 1.909 20 30 EDEDLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867978956 596642749 /nfs/dbraw/zinc/64/27/49/596642749.db2.gz BJNINNOVHMRUNV-ZWKOTPCHSA-N 2 2 326.444 1.544 20 30 EDEDLP C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000883399631 597732316 /nfs/dbraw/zinc/73/23/16/597732316.db2.gz SDCXNMCAPYSHAA-SFHVURJKSA-N 2 2 334.460 1.814 20 30 EDEDLP C=CCC1(O)CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000884479846 598117054 /nfs/dbraw/zinc/11/70/54/598117054.db2.gz ULJCKZHMLWORCO-GOSISDBHSA-N 2 2 335.448 1.264 20 30 EDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000992849431 695407276 /nfs/dbraw/zinc/40/72/76/695407276.db2.gz DNUMKKHJUWZCPY-VNQPRFMTSA-N 2 2 336.867 1.932 20 30 EDEDLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](C#N)C2)([NH+]2CCCCC2)CC1 ZINC000920603572 697450995 /nfs/dbraw/zinc/45/09/95/697450995.db2.gz IQUUGFIIXQBJPW-QGZVFWFLSA-N 2 2 347.507 1.882 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001032416897 703489048 /nfs/dbraw/zinc/48/90/48/703489048.db2.gz OWLCZGSFVZYHML-ZQIUZPCESA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032416897 703489049 /nfs/dbraw/zinc/48/90/49/703489049.db2.gz OWLCZGSFVZYHML-ZQIUZPCESA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032416897 703489050 /nfs/dbraw/zinc/48/90/50/703489050.db2.gz OWLCZGSFVZYHML-ZQIUZPCESA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032416897 703489051 /nfs/dbraw/zinc/48/90/51/703489051.db2.gz OWLCZGSFVZYHML-ZQIUZPCESA-N 2 2 329.448 1.651 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085334 704148909 /nfs/dbraw/zinc/14/89/09/704148909.db2.gz SLKBHGNRRWJVBS-BRWVUGGUSA-N 2 2 328.460 1.873 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085334 704148912 /nfs/dbraw/zinc/14/89/12/704148912.db2.gz SLKBHGNRRWJVBS-BRWVUGGUSA-N 2 2 328.460 1.873 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000945181502 705214922 /nfs/dbraw/zinc/21/49/22/705214922.db2.gz NPFJMRASCBHTDG-MAUKXSAKSA-N 2 2 344.459 1.346 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000945181502 705214927 /nfs/dbraw/zinc/21/49/27/705214927.db2.gz NPFJMRASCBHTDG-MAUKXSAKSA-N 2 2 344.459 1.346 20 30 EDEDLP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000948648505 705448428 /nfs/dbraw/zinc/44/84/28/705448428.db2.gz SMAUAMDQZDINRK-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000948648505 705448431 /nfs/dbraw/zinc/44/84/31/705448431.db2.gz SMAUAMDQZDINRK-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948648505 705448435 /nfs/dbraw/zinc/44/84/35/705448435.db2.gz SMAUAMDQZDINRK-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948648505 705448439 /nfs/dbraw/zinc/44/84/39/705448439.db2.gz SMAUAMDQZDINRK-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000948648503 705448558 /nfs/dbraw/zinc/44/85/58/705448558.db2.gz SMAUAMDQZDINRK-OALUTQOASA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000948648503 705448561 /nfs/dbraw/zinc/44/85/61/705448561.db2.gz SMAUAMDQZDINRK-OALUTQOASA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000948648503 705448562 /nfs/dbraw/zinc/44/85/62/705448562.db2.gz SMAUAMDQZDINRK-OALUTQOASA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000948648503 705448565 /nfs/dbraw/zinc/44/85/65/705448565.db2.gz SMAUAMDQZDINRK-OALUTQOASA-N 2 2 349.519 1.824 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308105 705720539 /nfs/dbraw/zinc/72/05/39/705720539.db2.gz YAHZTAUFVURQTH-WCQYABFASA-N 2 2 330.354 1.816 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000998922524 706350416 /nfs/dbraw/zinc/35/04/16/706350416.db2.gz HKSGBNZJWLOPFG-GPANFISMSA-N 2 2 330.432 1.160 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000998922524 706350419 /nfs/dbraw/zinc/35/04/19/706350419.db2.gz HKSGBNZJWLOPFG-GPANFISMSA-N 2 2 330.432 1.160 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999389766 706902739 /nfs/dbraw/zinc/90/27/39/706902739.db2.gz CCELLJTWWLBTGD-HOCLYGCPSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999389766 706902741 /nfs/dbraw/zinc/90/27/41/706902741.db2.gz CCELLJTWWLBTGD-HOCLYGCPSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390811 706904215 /nfs/dbraw/zinc/90/42/15/706904215.db2.gz IETRBNIERASNOL-WMZOPIPTSA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390811 706904217 /nfs/dbraw/zinc/90/42/17/706904217.db2.gz IETRBNIERASNOL-WMZOPIPTSA-N 2 2 344.459 1.470 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001686312 708183158 /nfs/dbraw/zinc/18/31/58/708183158.db2.gz ZWTZAPVJCXZPER-IBGZPJMESA-N 2 2 347.503 1.339 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001686312 708183160 /nfs/dbraw/zinc/18/31/60/708183160.db2.gz ZWTZAPVJCXZPER-IBGZPJMESA-N 2 2 347.503 1.339 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033659190 708470228 /nfs/dbraw/zinc/47/02/28/708470228.db2.gz VXBYZJOKPOUYGH-IBGZPJMESA-N 2 2 343.446 1.806 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033659190 708470230 /nfs/dbraw/zinc/47/02/30/708470230.db2.gz VXBYZJOKPOUYGH-IBGZPJMESA-N 2 2 343.446 1.806 20 30 EDEDLP CC1(C)CC[N@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004543698 711954867 /nfs/dbraw/zinc/95/48/67/711954867.db2.gz QRJCMEISCYFASS-QGZVFWFLSA-N 2 2 332.492 1.945 20 30 EDEDLP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004543698 711954868 /nfs/dbraw/zinc/95/48/68/711954868.db2.gz QRJCMEISCYFASS-QGZVFWFLSA-N 2 2 332.492 1.945 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004543698 711954869 /nfs/dbraw/zinc/95/48/69/711954869.db2.gz QRJCMEISCYFASS-QGZVFWFLSA-N 2 2 332.492 1.945 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)CCC2 ZINC000328646724 539341028 /nfs/dbraw/zinc/34/10/28/539341028.db2.gz HCIDXTJWBVBHKA-GJZGRUSLSA-N 2 2 335.452 1.245 20 30 EDEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000249035218 139183491 /nfs/dbraw/zinc/18/34/91/139183491.db2.gz MMZILAOPSRFSJQ-JLSDUUJJSA-N 2 2 326.444 1.731 20 30 EDEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000249035218 139183492 /nfs/dbraw/zinc/18/34/92/139183492.db2.gz MMZILAOPSRFSJQ-JLSDUUJJSA-N 2 2 326.444 1.731 20 30 EDEDLP Cc1cc(C#N)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000367333443 154079890 /nfs/dbraw/zinc/07/98/90/154079890.db2.gz RLEQXFKDQGXQBU-SJPCQFCGSA-N 2 2 326.448 1.404 20 30 EDEDLP Cc1cc(C#N)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000367333443 154079892 /nfs/dbraw/zinc/07/98/92/154079892.db2.gz RLEQXFKDQGXQBU-SJPCQFCGSA-N 2 2 326.448 1.404 20 30 EDEDLP C[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367460922 154132839 /nfs/dbraw/zinc/13/28/39/154132839.db2.gz MSPREZUXHGDHJP-CYBMUJFWSA-N 2 2 344.419 1.466 20 30 EDEDLP C[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367460922 154132841 /nfs/dbraw/zinc/13/28/41/154132841.db2.gz MSPREZUXHGDHJP-CYBMUJFWSA-N 2 2 344.419 1.466 20 30 EDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1ccnn1C ZINC000083857650 441377348 /nfs/dbraw/zinc/37/73/48/441377348.db2.gz RBGSELFIUUTVCC-UHFFFAOYSA-N 2 2 332.477 1.205 20 30 EDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1ccnn1C ZINC000083857650 441377349 /nfs/dbraw/zinc/37/73/49/441377349.db2.gz RBGSELFIUUTVCC-UHFFFAOYSA-N 2 2 332.477 1.205 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161863877 442039622 /nfs/dbraw/zinc/03/96/22/442039622.db2.gz PDRAUCWQOBGHGC-MSOLQXFVSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161863877 442039626 /nfs/dbraw/zinc/03/96/26/442039626.db2.gz PDRAUCWQOBGHGC-MSOLQXFVSA-N 2 2 349.523 1.096 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000175596708 442091488 /nfs/dbraw/zinc/09/14/88/442091488.db2.gz NJLJOHJENQTDQY-UHFFFAOYSA-N 2 2 329.448 1.383 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545437 442791891 /nfs/dbraw/zinc/79/18/91/442791891.db2.gz KBLAHFZSTGRQPI-OFQRWUPVSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545437 442791894 /nfs/dbraw/zinc/79/18/94/442791894.db2.gz KBLAHFZSTGRQPI-OFQRWUPVSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545437 442791895 /nfs/dbraw/zinc/79/18/95/442791895.db2.gz KBLAHFZSTGRQPI-OFQRWUPVSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545437 442791897 /nfs/dbraw/zinc/79/18/97/442791897.db2.gz KBLAHFZSTGRQPI-OFQRWUPVSA-N 2 2 334.464 1.335 20 30 EDEDLP CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261937699 443174292 /nfs/dbraw/zinc/17/42/92/443174292.db2.gz CUHVEMRUTMEIFU-AGIUHOORSA-N 2 2 347.385 1.655 20 30 EDEDLP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953656 443175616 /nfs/dbraw/zinc/17/56/16/443175616.db2.gz IDOTXVQQYBOAGB-SQWLQELKSA-N 2 2 337.493 1.209 20 30 EDEDLP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963945 443176620 /nfs/dbraw/zinc/17/66/20/443176620.db2.gz LAUUVTQVQUNQDP-BBRMVZONSA-N 2 2 329.452 1.963 20 30 EDEDLP [NH2+]=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)NC1CC1 ZINC000264121575 443251047 /nfs/dbraw/zinc/25/10/47/443251047.db2.gz VBGOVYCSJWKCTG-UHFFFAOYSA-N 2 2 329.492 1.651 20 30 EDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292233954 443784903 /nfs/dbraw/zinc/78/49/03/443784903.db2.gz WCKUTMFNGAWHPV-LJQANCHMSA-N 2 2 326.444 1.961 20 30 EDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292233954 443784904 /nfs/dbraw/zinc/78/49/04/443784904.db2.gz WCKUTMFNGAWHPV-LJQANCHMSA-N 2 2 326.444 1.961 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292233954 443784907 /nfs/dbraw/zinc/78/49/07/443784907.db2.gz WCKUTMFNGAWHPV-LJQANCHMSA-N 2 2 326.444 1.961 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292233954 443784911 /nfs/dbraw/zinc/78/49/11/443784911.db2.gz WCKUTMFNGAWHPV-LJQANCHMSA-N 2 2 326.444 1.961 20 30 EDEDLP C=CCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285620981 444051278 /nfs/dbraw/zinc/05/12/78/444051278.db2.gz ZLEZMXOHCVLNIO-UHFFFAOYSA-N 2 2 330.476 1.038 20 30 EDEDLP C=CCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285620981 444051283 /nfs/dbraw/zinc/05/12/83/444051283.db2.gz ZLEZMXOHCVLNIO-UHFFFAOYSA-N 2 2 330.476 1.038 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000569204720 321321785 /nfs/dbraw/zinc/32/17/85/321321785.db2.gz OAJVPWNRASAJSU-QGZVFWFLSA-N 2 2 341.459 1.385 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C(C)C ZINC000285887240 444141017 /nfs/dbraw/zinc/14/10/17/444141017.db2.gz JNGGHAKJQFUMEW-HOTGVXAUSA-N 2 2 345.447 1.571 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C(C)C ZINC000285887240 444141020 /nfs/dbraw/zinc/14/10/20/444141020.db2.gz JNGGHAKJQFUMEW-HOTGVXAUSA-N 2 2 345.447 1.571 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@](C)(O)C3CC3)CC2)CC1 ZINC000329242678 444510605 /nfs/dbraw/zinc/51/06/05/444510605.db2.gz ONHAKEKMWNSKOR-GOSISDBHSA-N 2 2 338.496 1.210 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3=CCCOC3)CC2)CC1 ZINC000329419127 444572197 /nfs/dbraw/zinc/57/21/97/444572197.db2.gz GMIORYMZCFHRLJ-UHFFFAOYSA-N 2 2 336.480 1.395 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329513775 444610538 /nfs/dbraw/zinc/61/05/38/444610538.db2.gz YCKYIFMDDFZTGU-OAGGEKHMSA-N 2 2 331.464 1.918 20 30 EDEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329709277 444688056 /nfs/dbraw/zinc/68/80/56/444688056.db2.gz LNCVWBIEZYVBIO-KGLIPLIRSA-N 2 2 328.420 1.851 20 30 EDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329953531 444784182 /nfs/dbraw/zinc/78/41/82/444784182.db2.gz JKNNQTXBIBVJCM-CVEARBPZSA-N 2 2 348.495 1.497 20 30 EDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330353841 444949147 /nfs/dbraw/zinc/94/91/47/444949147.db2.gz OXMNIDCLKBOIEB-INMHGKMJSA-N 2 2 349.479 1.876 20 30 EDEDLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330353841 444949150 /nfs/dbraw/zinc/94/91/50/444949150.db2.gz OXMNIDCLKBOIEB-INMHGKMJSA-N 2 2 349.479 1.876 20 30 EDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704200 445349910 /nfs/dbraw/zinc/34/99/10/445349910.db2.gz GNUMPNWUYANJQH-QAPCUYQASA-N 2 2 328.460 1.837 20 30 EDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704200 445349911 /nfs/dbraw/zinc/34/99/11/445349911.db2.gz GNUMPNWUYANJQH-QAPCUYQASA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704200 445349912 /nfs/dbraw/zinc/34/99/12/445349912.db2.gz GNUMPNWUYANJQH-QAPCUYQASA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704200 445349913 /nfs/dbraw/zinc/34/99/13/445349913.db2.gz GNUMPNWUYANJQH-QAPCUYQASA-N 2 2 328.460 1.837 20 30 EDEDLP C=CCOCC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435555198 446701005 /nfs/dbraw/zinc/70/10/05/446701005.db2.gz DQAHJCPITIPGDI-HNNXBMFYSA-N 2 2 332.448 1.576 20 30 EDEDLP C#CCNC(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000491201454 447953421 /nfs/dbraw/zinc/95/34/21/447953421.db2.gz IAFCYGVDDGFFNM-UHFFFAOYSA-N 2 2 329.448 1.170 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000583020035 448404341 /nfs/dbraw/zinc/40/43/41/448404341.db2.gz TVSYKBDZMZKDQD-LSBZLQRGSA-N 2 2 329.444 1.565 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000583020035 448404346 /nfs/dbraw/zinc/40/43/46/448404346.db2.gz TVSYKBDZMZKDQD-LSBZLQRGSA-N 2 2 329.444 1.565 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583206072 448427030 /nfs/dbraw/zinc/42/70/30/448427030.db2.gz CTJKHSOQFHFDPR-MRXNPFEDSA-N 2 2 335.492 1.402 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583206071 448427049 /nfs/dbraw/zinc/42/70/49/448427049.db2.gz CTJKHSOQFHFDPR-INIZCTEOSA-N 2 2 335.492 1.402 20 30 EDEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccncc3C#N)CC2)CC1 ZINC000592087340 448672784 /nfs/dbraw/zinc/67/27/84/448672784.db2.gz UCFGKXWONFYANR-UHFFFAOYSA-N 2 2 327.476 1.944 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)cc1 ZINC000593716278 449157847 /nfs/dbraw/zinc/15/78/47/449157847.db2.gz PEUGPFLSXUHFLT-UHFFFAOYSA-N 2 2 341.459 1.514 20 30 EDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000598720207 449561766 /nfs/dbraw/zinc/56/17/66/449561766.db2.gz LYSJUFRKWPLATQ-GOSISDBHSA-N 3 2 345.491 1.484 20 30 EDEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)cc1 ZINC000594938683 449813822 /nfs/dbraw/zinc/81/38/22/449813822.db2.gz NWGDOFUGPHMAJE-QGZVFWFLSA-N 2 2 335.411 1.592 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)c(O)c3)C2)CC1 ZINC000615428254 450094177 /nfs/dbraw/zinc/09/41/77/450094177.db2.gz KHPNWLXLOVRFJH-HNNXBMFYSA-N 2 2 328.416 1.162 20 30 EDEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CCC[NH2+]1 ZINC000662755332 453491684 /nfs/dbraw/zinc/49/16/84/453491684.db2.gz FBVJYONOZRVYHU-LPHOPBHVSA-N 2 2 328.460 1.985 20 30 EDEDLP CC(C)CCNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264099622 535385107 /nfs/dbraw/zinc/38/51/07/535385107.db2.gz NQNWYKWAQUZDDO-UHFFFAOYSA-N 2 2 348.491 1.848 20 30 EDEDLP CC[NH+](CC)CCN(CCOC)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093103890 535526305 /nfs/dbraw/zinc/52/63/05/535526305.db2.gz PWPFZLROZIIKFY-UHFFFAOYSA-N 2 2 329.448 1.996 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2ccc(Cl)cc2)CC1 ZINC000735659154 578910416 /nfs/dbraw/zinc/91/04/16/578910416.db2.gz QSTDIQSALNSYOI-UHFFFAOYSA-N 2 2 333.863 1.939 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2ccc(Cl)cc2)CC1 ZINC000735659154 578910418 /nfs/dbraw/zinc/91/04/18/578910418.db2.gz QSTDIQSALNSYOI-UHFFFAOYSA-N 2 2 333.863 1.939 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000748824974 579702631 /nfs/dbraw/zinc/70/26/31/579702631.db2.gz QIXFHTGCAZAZBV-JXFKEZNVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000748824974 579702632 /nfs/dbraw/zinc/70/26/32/579702632.db2.gz QIXFHTGCAZAZBV-JXFKEZNVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000748824088 579702636 /nfs/dbraw/zinc/70/26/36/579702636.db2.gz GGRHLQPFJGCHIB-UYAOXDASSA-N 2 2 339.483 1.717 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000748824088 579702637 /nfs/dbraw/zinc/70/26/37/579702637.db2.gz GGRHLQPFJGCHIB-UYAOXDASSA-N 2 2 339.483 1.717 20 30 EDEDLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000763009453 580089602 /nfs/dbraw/zinc/08/96/02/580089602.db2.gz MGPAPLUTEXTNEB-UHFFFAOYSA-N 2 2 326.444 1.687 20 30 EDEDLP C=CCC1(O)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000895835987 591285168 /nfs/dbraw/zinc/28/51/68/591285168.db2.gz SXRPXOOEFBGDQF-UHFFFAOYSA-N 2 2 331.464 1.131 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000900107770 591909807 /nfs/dbraw/zinc/90/98/07/591909807.db2.gz WODCPGCZYNKLLW-GOSISDBHSA-N 2 2 331.460 1.684 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823560 592334362 /nfs/dbraw/zinc/33/43/62/592334362.db2.gz HPVTXNOEGHQBIQ-QYZOEREBSA-N 2 2 327.428 1.700 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823560 592334368 /nfs/dbraw/zinc/33/43/68/592334368.db2.gz HPVTXNOEGHQBIQ-QYZOEREBSA-N 2 2 327.428 1.700 20 30 EDEDLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000905533497 592554067 /nfs/dbraw/zinc/55/40/67/592554067.db2.gz QJRRPSCXPJTNJM-OAHLLOKOSA-N 2 2 346.456 1.606 20 30 EDEDLP C#C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000820422089 593817908 /nfs/dbraw/zinc/81/79/08/593817908.db2.gz CRZOFWPXCFFSEZ-RYQLBKOJSA-N 2 2 334.508 1.987 20 30 EDEDLP C#C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000820422089 593817909 /nfs/dbraw/zinc/81/79/09/593817909.db2.gz CRZOFWPXCFFSEZ-RYQLBKOJSA-N 2 2 334.508 1.987 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852781593 595539685 /nfs/dbraw/zinc/53/96/85/595539685.db2.gz MKELCTIQJKJGGP-INIZCTEOSA-N 2 2 341.455 1.440 20 30 EDEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000884180827 598017245 /nfs/dbraw/zinc/01/72/45/598017245.db2.gz LKFUCOJROQKEMU-UPTPFMHGSA-N 2 2 344.484 1.532 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]21 ZINC000992853582 695409062 /nfs/dbraw/zinc/40/90/62/695409062.db2.gz KJPYLCHXARCKCR-CGTJXYLNSA-N 2 2 349.438 1.731 20 30 EDEDLP C#CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000915170639 695756284 /nfs/dbraw/zinc/75/62/84/695756284.db2.gz FHJZAFGGCMSLFL-UHFFFAOYSA-N 2 2 340.471 1.741 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2F)C1 ZINC001031741279 698313878 /nfs/dbraw/zinc/31/38/78/698313878.db2.gz VHKALXYSTDWCLE-SFHVURJKSA-N 2 2 329.419 1.471 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2F)C1 ZINC001031741279 698313880 /nfs/dbraw/zinc/31/38/80/698313880.db2.gz VHKALXYSTDWCLE-SFHVURJKSA-N 2 2 329.419 1.471 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031741443 698316446 /nfs/dbraw/zinc/31/64/46/698316446.db2.gz ZBZZRGQZKYASRS-FXVWLTTGSA-N 2 2 337.467 1.845 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031741443 698316448 /nfs/dbraw/zinc/31/64/48/698316448.db2.gz ZBZZRGQZKYASRS-FXVWLTTGSA-N 2 2 337.467 1.845 20 30 EDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756879 698833160 /nfs/dbraw/zinc/83/31/60/698833160.db2.gz XEPHBSATRGALFN-WMLDXEAASA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756879 698833163 /nfs/dbraw/zinc/83/31/63/698833163.db2.gz XEPHBSATRGALFN-WMLDXEAASA-N 2 2 337.427 1.851 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154752 701557660 /nfs/dbraw/zinc/55/76/60/701557660.db2.gz SRSUUOYEPZAENE-WMLDXEAASA-N 2 2 337.427 1.899 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000939527203 699665790 /nfs/dbraw/zinc/66/57/90/699665790.db2.gz CQEZROMHICIOKN-PBHICJAKSA-N 2 2 325.416 1.894 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000995114513 701045041 /nfs/dbraw/zinc/04/50/41/701045041.db2.gz ITSSPWOWTQWTGE-DLBZAZTESA-N 2 2 337.427 1.899 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3conc3CC)C2)CC1 ZINC001032205271 702053502 /nfs/dbraw/zinc/05/35/02/702053502.db2.gz UBVNTIVFIIEWEL-UHFFFAOYSA-N 2 2 344.459 1.130 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032453785 703627386 /nfs/dbraw/zinc/62/73/86/703627386.db2.gz OPMCHZCKGPVBDX-XSLAGTTESA-N 2 2 345.487 1.184 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032453785 703627387 /nfs/dbraw/zinc/62/73/87/703627387.db2.gz OPMCHZCKGPVBDX-XSLAGTTESA-N 2 2 345.487 1.184 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CC(C)(C)CO1 ZINC001032453785 703627389 /nfs/dbraw/zinc/62/73/89/703627389.db2.gz OPMCHZCKGPVBDX-XSLAGTTESA-N 2 2 345.487 1.184 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CC(C)(C)CO1 ZINC001032453785 703627390 /nfs/dbraw/zinc/62/73/90/703627390.db2.gz OPMCHZCKGPVBDX-XSLAGTTESA-N 2 2 345.487 1.184 20 30 EDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536647 707895170 /nfs/dbraw/zinc/89/51/70/707895170.db2.gz SHNIRLDXYAONOI-OWCLPIDISA-N 2 2 341.883 1.240 20 30 EDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536647 707895173 /nfs/dbraw/zinc/89/51/73/707895173.db2.gz SHNIRLDXYAONOI-OWCLPIDISA-N 2 2 341.883 1.240 20 30 EDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536647 707895176 /nfs/dbraw/zinc/89/51/76/707895176.db2.gz SHNIRLDXYAONOI-OWCLPIDISA-N 2 2 341.883 1.240 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033656778 708426592 /nfs/dbraw/zinc/42/65/92/708426592.db2.gz FFSOXOGCJNGRFX-CQSZACIVSA-N 2 2 332.473 1.748 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033656778 708426595 /nfs/dbraw/zinc/42/65/95/708426595.db2.gz FFSOXOGCJNGRFX-CQSZACIVSA-N 2 2 332.473 1.748 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002442976 708962227 /nfs/dbraw/zinc/96/22/27/708962227.db2.gz BUVMQZXMEKRDQZ-GOSISDBHSA-N 2 2 344.434 1.872 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002442976 708962229 /nfs/dbraw/zinc/96/22/29/708962229.db2.gz BUVMQZXMEKRDQZ-GOSISDBHSA-N 2 2 344.434 1.872 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955253 709136485 /nfs/dbraw/zinc/13/64/85/709136485.db2.gz XLCSUBAGYXYDFO-OAHLLOKOSA-N 2 2 330.432 1.440 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955253 709136488 /nfs/dbraw/zinc/13/64/88/709136488.db2.gz XLCSUBAGYXYDFO-OAHLLOKOSA-N 2 2 330.432 1.440 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCOC2CCC2)C1 ZINC001034248828 709610458 /nfs/dbraw/zinc/61/04/58/709610458.db2.gz CDSDJNFWMYMQNB-MJGOQNOKSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCOC2CCC2)C1 ZINC001034248828 709610460 /nfs/dbraw/zinc/61/04/60/709610460.db2.gz CDSDJNFWMYMQNB-MJGOQNOKSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCOC2CCC2)C1 ZINC001034248828 709610462 /nfs/dbraw/zinc/61/04/62/709610462.db2.gz CDSDJNFWMYMQNB-MJGOQNOKSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCOC2CCC2)C1 ZINC001034248828 709610465 /nfs/dbraw/zinc/61/04/65/709610465.db2.gz CDSDJNFWMYMQNB-MJGOQNOKSA-N 2 2 347.503 1.624 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003168657 710081241 /nfs/dbraw/zinc/08/12/41/710081241.db2.gz SBJSBUARFPXMQM-CQSZACIVSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003168657 710081246 /nfs/dbraw/zinc/08/12/46/710081246.db2.gz SBJSBUARFPXMQM-CQSZACIVSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003544659 710412533 /nfs/dbraw/zinc/41/25/33/710412533.db2.gz RNPQVWNHAYFFFF-UHFFFAOYSA-N 2 2 344.297 1.817 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468672 711844382 /nfs/dbraw/zinc/84/43/82/711844382.db2.gz JPINDIPGKRFTLI-MJGOQNOKSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468672 711844384 /nfs/dbraw/zinc/84/43/84/711844384.db2.gz JPINDIPGKRFTLI-MJGOQNOKSA-N 2 2 340.471 1.782 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652457 712205012 /nfs/dbraw/zinc/20/50/12/712205012.db2.gz UOYFNMSZVFAHIC-KSZLIROESA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652457 712205015 /nfs/dbraw/zinc/20/50/15/712205015.db2.gz UOYFNMSZVFAHIC-KSZLIROESA-N 2 2 340.471 1.639 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033161216 712263426 /nfs/dbraw/zinc/26/34/26/712263426.db2.gz KVQXOHJGSBCQJJ-SJORKVTESA-N 2 2 331.485 1.878 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033161216 712263428 /nfs/dbraw/zinc/26/34/28/712263428.db2.gz KVQXOHJGSBCQJJ-SJORKVTESA-N 2 2 331.485 1.878 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033161216 712263429 /nfs/dbraw/zinc/26/34/29/712263429.db2.gz KVQXOHJGSBCQJJ-SJORKVTESA-N 2 2 331.485 1.878 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033161216 712263430 /nfs/dbraw/zinc/26/34/30/712263430.db2.gz KVQXOHJGSBCQJJ-SJORKVTESA-N 2 2 331.485 1.878 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329121087 539411543 /nfs/dbraw/zinc/41/15/43/539411543.db2.gz QICKIUWGRHWBAH-INIZCTEOSA-N 2 2 340.512 1.721 20 30 EDEDLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329121087 539411547 /nfs/dbraw/zinc/41/15/47/539411547.db2.gz QICKIUWGRHWBAH-INIZCTEOSA-N 2 2 340.512 1.721 20 30 EDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000104070315 138299504 /nfs/dbraw/zinc/29/95/04/138299504.db2.gz VRRFHMPJGKCFES-GOSISDBHSA-N 2 2 342.443 1.351 20 30 EDEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000297296549 270011316 /nfs/dbraw/zinc/01/13/16/270011316.db2.gz AFFAWORPXLYDBO-IBGZPJMESA-N 2 2 338.455 1.876 20 30 EDEDLP Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C#N)c(C)[nH+]1 ZINC000301755675 267346469 /nfs/dbraw/zinc/34/64/69/267346469.db2.gz DDOWFBSQNNGUHX-UHFFFAOYSA-N 2 2 336.461 1.491 20 30 EDEDLP C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000178151544 442411501 /nfs/dbraw/zinc/41/15/01/442411501.db2.gz XPZSWWIIQDQBDQ-HNNXBMFYSA-N 2 2 342.443 1.447 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)s1 ZINC000183331653 442922619 /nfs/dbraw/zinc/92/26/19/442922619.db2.gz KGYLZNNBJKTDLB-KGLIPLIRSA-N 2 2 348.472 1.203 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416088 443224838 /nfs/dbraw/zinc/22/48/38/443224838.db2.gz DWPXSZNBKHXWFI-MJGOQNOKSA-N 2 2 349.523 1.143 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416088 443224839 /nfs/dbraw/zinc/22/48/39/443224839.db2.gz DWPXSZNBKHXWFI-MJGOQNOKSA-N 2 2 349.523 1.143 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610994570 450400890 /nfs/dbraw/zinc/40/08/90/450400890.db2.gz HJTVZQSLUGJUBE-UHFFFAOYSA-N 2 2 341.459 1.329 20 30 EDEDLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000267267737 443400144 /nfs/dbraw/zinc/40/01/44/443400144.db2.gz DWOXQIPUOVYJPN-HNNXBMFYSA-N 2 2 343.475 1.944 20 30 EDEDLP C[C@@H](CCC#N)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000276319134 443686560 /nfs/dbraw/zinc/68/65/60/443686560.db2.gz OCOOXWFFGMDPHB-HNNXBMFYSA-N 2 2 330.436 1.127 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455940 443917479 /nfs/dbraw/zinc/91/74/79/443917479.db2.gz VAMMSSVOUVDHRD-QZTJIDSGSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455940 443917481 /nfs/dbraw/zinc/91/74/81/443917481.db2.gz VAMMSSVOUVDHRD-QZTJIDSGSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455940 443917482 /nfs/dbraw/zinc/91/74/82/443917482.db2.gz VAMMSSVOUVDHRD-QZTJIDSGSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455940 443917484 /nfs/dbraw/zinc/91/74/84/443917484.db2.gz VAMMSSVOUVDHRD-QZTJIDSGSA-N 2 2 328.460 1.622 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436464 444143731 /nfs/dbraw/zinc/14/37/31/444143731.db2.gz WDHQXKDDGVFMDJ-LSDHHAIUSA-N 2 2 345.447 1.361 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436464 444143735 /nfs/dbraw/zinc/14/37/35/444143735.db2.gz WDHQXKDDGVFMDJ-LSDHHAIUSA-N 2 2 345.447 1.361 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000304665716 444251054 /nfs/dbraw/zinc/25/10/54/444251054.db2.gz BAUWSSAWBBCGIW-LJQANCHMSA-N 2 2 343.471 1.128 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000304665716 444251057 /nfs/dbraw/zinc/25/10/57/444251057.db2.gz BAUWSSAWBBCGIW-LJQANCHMSA-N 2 2 343.471 1.128 20 30 EDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000328606579 444391491 /nfs/dbraw/zinc/39/14/91/444391491.db2.gz KNHYBXHQGIUGKR-CVEARBPZSA-N 2 2 347.463 1.329 20 30 EDEDLP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329307729 444529645 /nfs/dbraw/zinc/52/96/45/444529645.db2.gz ZGQYVPVTWAQGSX-DJIMGWMZSA-N 2 2 349.479 1.543 20 30 EDEDLP C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329307729 444529649 /nfs/dbraw/zinc/52/96/49/444529649.db2.gz ZGQYVPVTWAQGSX-DJIMGWMZSA-N 2 2 349.479 1.543 20 30 EDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329307729 444529653 /nfs/dbraw/zinc/52/96/53/444529653.db2.gz ZGQYVPVTWAQGSX-DJIMGWMZSA-N 2 2 349.479 1.543 20 30 EDEDLP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329522103 444613395 /nfs/dbraw/zinc/61/33/95/444613395.db2.gz QZXAUKJMRWINKC-DOTOQJQBSA-N 2 2 348.495 1.355 20 30 EDEDLP CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329522103 444613398 /nfs/dbraw/zinc/61/33/98/444613398.db2.gz QZXAUKJMRWINKC-DOTOQJQBSA-N 2 2 348.495 1.355 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[NH+]1CCSCC1 ZINC000330015028 444811386 /nfs/dbraw/zinc/81/13/86/444811386.db2.gz NLRQZZLZELHCKD-UHFFFAOYSA-N 2 2 348.476 1.576 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000344199433 444835795 /nfs/dbraw/zinc/83/57/95/444835795.db2.gz SOQNSEDXJUEBMP-UHFFFAOYSA-N 2 2 337.427 1.948 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc1 ZINC000344199433 444835799 /nfs/dbraw/zinc/83/57/99/444835799.db2.gz SOQNSEDXJUEBMP-UHFFFAOYSA-N 2 2 337.427 1.948 20 30 EDEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330272399 444917549 /nfs/dbraw/zinc/91/75/49/444917549.db2.gz XPAYWSQZFKDVFR-MRXNPFEDSA-N 2 2 344.463 1.182 20 30 EDEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330272399 444917552 /nfs/dbraw/zinc/91/75/52/444917552.db2.gz XPAYWSQZFKDVFR-MRXNPFEDSA-N 2 2 344.463 1.182 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCCSCC#N ZINC000348092897 445265893 /nfs/dbraw/zinc/26/58/93/445265893.db2.gz YRBXJRPIJKHYCD-GJZGRUSLSA-N 2 2 339.484 1.911 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCCSCC#N ZINC000348092897 445265897 /nfs/dbraw/zinc/26/58/97/445265897.db2.gz YRBXJRPIJKHYCD-GJZGRUSLSA-N 2 2 339.484 1.911 20 30 EDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282020 445338278 /nfs/dbraw/zinc/33/82/78/445338278.db2.gz ODZBDWGEUGVOQK-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282020 445338280 /nfs/dbraw/zinc/33/82/80/445338280.db2.gz ODZBDWGEUGVOQK-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282020 445338282 /nfs/dbraw/zinc/33/82/82/445338282.db2.gz ODZBDWGEUGVOQK-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282020 445338283 /nfs/dbraw/zinc/33/82/83/445338283.db2.gz ODZBDWGEUGVOQK-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000356427138 445784656 /nfs/dbraw/zinc/78/46/56/445784656.db2.gz OEDFDHICANQZEN-UHFFFAOYSA-N 2 2 333.505 1.864 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113919 326202788 /nfs/dbraw/zinc/20/27/88/326202788.db2.gz PPZCEELVPVCSDF-IXDOHACOSA-N 2 2 340.431 1.284 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113919 326202792 /nfs/dbraw/zinc/20/27/92/326202792.db2.gz PPZCEELVPVCSDF-IXDOHACOSA-N 2 2 340.431 1.284 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000366661918 446298215 /nfs/dbraw/zinc/29/82/15/446298215.db2.gz HGMZGQYUPWUDGY-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000366661918 446298221 /nfs/dbraw/zinc/29/82/21/446298221.db2.gz HGMZGQYUPWUDGY-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C(=O)C1 ZINC000366890265 446399645 /nfs/dbraw/zinc/39/96/45/446399645.db2.gz YZXTXEYEGHMECP-UHFFFAOYSA-N 2 2 348.491 1.325 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C(=O)C1 ZINC000366890265 446399651 /nfs/dbraw/zinc/39/96/51/446399651.db2.gz YZXTXEYEGHMECP-UHFFFAOYSA-N 2 2 348.491 1.325 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455407024 447121182 /nfs/dbraw/zinc/12/11/82/447121182.db2.gz LPLUYNNJYVLWTH-CIQAELJKSA-N 2 2 348.491 1.282 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455407024 447121187 /nfs/dbraw/zinc/12/11/87/447121187.db2.gz LPLUYNNJYVLWTH-CIQAELJKSA-N 2 2 348.491 1.282 20 30 EDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457498267 447583489 /nfs/dbraw/zinc/58/34/89/447583489.db2.gz GHUZRDTVHFWYQV-UHFFFAOYSA-N 2 2 348.491 1.325 20 30 EDEDLP COc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000582482758 448250018 /nfs/dbraw/zinc/25/00/18/448250018.db2.gz TZYFAGJCCQIXBO-VBQJREDUSA-N 2 2 333.432 1.127 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)cc1 ZINC000516965771 448511045 /nfs/dbraw/zinc/51/10/45/448511045.db2.gz LKVWFJABNXNZHW-QGZVFWFLSA-N 2 2 336.395 1.930 20 30 EDEDLP Cc1ccccc1[C@H]([C@H](C)NC[C@H](O)C[N@H+](C)CCC#N)[NH+](C)C ZINC000567493916 448701658 /nfs/dbraw/zinc/70/16/58/448701658.db2.gz MOUWOUWSGDENGG-LNLFQRSKSA-N 2 2 332.492 1.782 20 30 EDEDLP Cc1ccccc1[C@H]([C@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)[NH+](C)C ZINC000567493916 448701665 /nfs/dbraw/zinc/70/16/65/448701665.db2.gz MOUWOUWSGDENGG-LNLFQRSKSA-N 2 2 332.492 1.782 20 30 EDEDLP Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)[NH+](C)C ZINC000567493915 448701748 /nfs/dbraw/zinc/70/17/48/448701748.db2.gz MOUWOUWSGDENGG-LMMKCTJWSA-N 2 2 332.492 1.782 20 30 EDEDLP Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)[NH+](C)C ZINC000567493915 448701754 /nfs/dbraw/zinc/70/17/54/448701754.db2.gz MOUWOUWSGDENGG-LMMKCTJWSA-N 2 2 332.492 1.782 20 30 EDEDLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324021 449227040 /nfs/dbraw/zinc/22/70/40/449227040.db2.gz VUOAZLWAQGPVHV-BEVDRBHNSA-N 3 2 342.487 1.865 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC000593885983 449263221 /nfs/dbraw/zinc/26/32/21/449263221.db2.gz MRKIFAVUIGBHCU-UHFFFAOYSA-N 2 2 337.427 1.995 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594445796 449522554 /nfs/dbraw/zinc/52/25/54/449522554.db2.gz MFJBOUGJOSOFLL-KRWDZBQOSA-N 2 2 330.432 1.869 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C(F)(F)F)c1 ZINC000594876145 449790282 /nfs/dbraw/zinc/79/02/82/449790282.db2.gz GBJDETHKOJXVMI-GXTWGEPZSA-N 2 2 338.333 1.321 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C(F)(F)F)c1 ZINC000594876145 449790285 /nfs/dbraw/zinc/79/02/85/449790285.db2.gz GBJDETHKOJXVMI-GXTWGEPZSA-N 2 2 338.333 1.321 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000609571158 450054240 /nfs/dbraw/zinc/05/42/40/450054240.db2.gz LYYVQZZKPZFRCM-QGZVFWFLSA-N 2 2 326.444 1.385 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000609571158 450054245 /nfs/dbraw/zinc/05/42/45/450054245.db2.gz LYYVQZZKPZFRCM-QGZVFWFLSA-N 2 2 326.444 1.385 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599685734 450153195 /nfs/dbraw/zinc/15/31/95/450153195.db2.gz IVPVHBNKTGWZMC-INIZCTEOSA-N 2 2 340.471 1.663 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599685734 450153196 /nfs/dbraw/zinc/15/31/96/450153196.db2.gz IVPVHBNKTGWZMC-INIZCTEOSA-N 2 2 340.471 1.663 20 30 EDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CCC[NH2+]1 ZINC000662687377 453408838 /nfs/dbraw/zinc/40/88/38/453408838.db2.gz XLNKSDLYQGIUMI-SFHVURJKSA-N 2 2 332.448 1.634 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693693 453519298 /nfs/dbraw/zinc/51/92/98/453519298.db2.gz KEUHRIBAHIDAMD-KRWDZBQOSA-N 2 2 337.508 1.648 20 30 EDEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000101601111 527127959 /nfs/dbraw/zinc/12/79/59/527127959.db2.gz SKFCJIQRAOOBMU-SFHVURJKSA-N 2 2 343.471 1.731 20 30 EDEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000101601111 527127963 /nfs/dbraw/zinc/12/79/63/527127963.db2.gz SKFCJIQRAOOBMU-SFHVURJKSA-N 2 2 343.471 1.731 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000730107007 578615229 /nfs/dbraw/zinc/61/52/29/578615229.db2.gz XMKGBIOKOLMRAY-DLBZAZTESA-N 2 2 329.444 1.939 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000730107007 578615231 /nfs/dbraw/zinc/61/52/31/578615231.db2.gz XMKGBIOKOLMRAY-DLBZAZTESA-N 2 2 329.444 1.939 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000730271622 578637973 /nfs/dbraw/zinc/63/79/73/578637973.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 2 2 341.455 1.101 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000730271622 578637976 /nfs/dbraw/zinc/63/79/76/578637976.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 2 2 341.455 1.101 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000748824082 579702561 /nfs/dbraw/zinc/70/25/61/579702561.db2.gz HSJQSDSRSANUJK-QFBILLFUSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000748824082 579702563 /nfs/dbraw/zinc/70/25/63/579702563.db2.gz HSJQSDSRSANUJK-QFBILLFUSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000755073046 579919357 /nfs/dbraw/zinc/91/93/57/579919357.db2.gz VLZZZETXCZMNDC-VQTJNVASSA-N 2 2 339.483 1.765 20 30 EDEDLP CC(=[NH+]NC(=S)NCCC[NH+]1CCOCC1)c1ccc(N)cc1C ZINC000758095151 579975346 /nfs/dbraw/zinc/97/53/46/579975346.db2.gz IOHFDUAFTSUQBD-UHFFFAOYSA-N 2 2 349.504 1.488 20 30 EDEDLP CCOC1CC(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000795205226 580915619 /nfs/dbraw/zinc/91/56/19/580915619.db2.gz PDPMSRVBERBVTN-UHFFFAOYSA-N 2 2 347.459 1.971 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000814641565 593598946 /nfs/dbraw/zinc/59/89/46/593598946.db2.gz HZUXQWOYRSOBTQ-LJQANCHMSA-N 2 2 325.456 1.643 20 30 EDEDLP C#CCCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776159 593631043 /nfs/dbraw/zinc/63/10/43/593631043.db2.gz BAJGJGGBUUYLOP-UHFFFAOYSA-N 2 2 334.508 1.992 20 30 EDEDLP C#CCCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776159 593631045 /nfs/dbraw/zinc/63/10/45/593631045.db2.gz BAJGJGGBUUYLOP-UHFFFAOYSA-N 2 2 334.508 1.992 20 30 EDEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011543 595121469 /nfs/dbraw/zinc/12/14/69/595121469.db2.gz NISIXUHFPBYRFE-OAHLLOKOSA-N 2 2 330.432 1.183 20 30 EDEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011543 595121473 /nfs/dbraw/zinc/12/14/73/595121473.db2.gz NISIXUHFPBYRFE-OAHLLOKOSA-N 2 2 330.432 1.183 20 30 EDEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846010696 595121509 /nfs/dbraw/zinc/12/15/09/595121509.db2.gz IWEDFAXWCWDXEZ-UHFFFAOYSA-N 2 2 343.475 1.242 20 30 EDEDLP CN(CCC#N)c1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846010696 595121511 /nfs/dbraw/zinc/12/15/11/595121511.db2.gz IWEDFAXWCWDXEZ-UHFFFAOYSA-N 2 2 343.475 1.242 20 30 EDEDLP COc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000853881340 595909621 /nfs/dbraw/zinc/90/96/21/595909621.db2.gz ASNAOQLJCWENRW-UHFFFAOYSA-N 2 2 347.463 1.250 20 30 EDEDLP COc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000853881340 595909624 /nfs/dbraw/zinc/90/96/24/595909624.db2.gz ASNAOQLJCWENRW-UHFFFAOYSA-N 2 2 347.463 1.250 20 30 EDEDLP C#CC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000883249164 597694267 /nfs/dbraw/zinc/69/42/67/597694267.db2.gz VRPWITDYCGINHG-UHFFFAOYSA-N 2 2 332.492 1.790 20 30 EDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939855690 699993709 /nfs/dbraw/zinc/99/37/09/699993709.db2.gz GKHLMYKKDDSROM-CXAGYDPISA-N 2 2 341.390 1.531 20 30 EDEDLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001031948324 701513766 /nfs/dbraw/zinc/51/37/66/701513766.db2.gz VAKMIYFHKLPRKX-UHFFFAOYSA-N 2 2 326.444 1.448 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063224 702520008 /nfs/dbraw/zinc/52/00/08/702520008.db2.gz FCTPXWWTIDIRPX-DOTOQJQBSA-N 2 2 328.460 1.612 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063224 702520013 /nfs/dbraw/zinc/52/00/13/702520013.db2.gz FCTPXWWTIDIRPX-DOTOQJQBSA-N 2 2 328.460 1.612 20 30 EDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000996865877 703147629 /nfs/dbraw/zinc/14/76/29/703147629.db2.gz VKEPKKRDKLAUBD-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000996865877 703147630 /nfs/dbraw/zinc/14/76/30/703147630.db2.gz VKEPKKRDKLAUBD-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997185705 703474757 /nfs/dbraw/zinc/47/47/57/703474757.db2.gz IHLWZKBVWMVBQL-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000997413936 703668556 /nfs/dbraw/zinc/66/85/56/703668556.db2.gz WJGCKBONVDYXBG-UHFFFAOYSA-N 2 2 329.429 1.597 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001004257946 704086081 /nfs/dbraw/zinc/08/60/81/704086081.db2.gz NWLBLINFJNYAII-UHFFFAOYSA-N 2 2 329.429 1.597 20 30 EDEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CC2)CC1 ZINC001000204108 707849763 /nfs/dbraw/zinc/84/97/63/707849763.db2.gz QQBUXNLNPNUMCZ-OAHLLOKOSA-N 2 2 340.471 1.817 20 30 EDEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CC2)CC1 ZINC001000204108 707849766 /nfs/dbraw/zinc/84/97/66/707849766.db2.gz QQBUXNLNPNUMCZ-OAHLLOKOSA-N 2 2 340.471 1.817 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033580512 708260903 /nfs/dbraw/zinc/26/09/03/708260903.db2.gz UMUVPNPTUVVCOB-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033580512 708260906 /nfs/dbraw/zinc/26/09/06/708260906.db2.gz UMUVPNPTUVVCOB-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840284 708871618 /nfs/dbraw/zinc/87/16/18/708871618.db2.gz ZTSTUIFSTYKRFT-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840284 708871623 /nfs/dbraw/zinc/87/16/23/708871623.db2.gz ZTSTUIFSTYKRFT-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033840284 708871628 /nfs/dbraw/zinc/87/16/28/708871628.db2.gz ZTSTUIFSTYKRFT-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033840284 708871632 /nfs/dbraw/zinc/87/16/32/708871632.db2.gz ZTSTUIFSTYKRFT-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898631 709019109 /nfs/dbraw/zinc/01/91/09/709019109.db2.gz XKOJJPOUYFFWQW-QGZVFWFLSA-N 2 2 337.427 1.827 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033898631 709019110 /nfs/dbraw/zinc/01/91/10/709019110.db2.gz XKOJJPOUYFFWQW-QGZVFWFLSA-N 2 2 337.427 1.827 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034547299 710221531 /nfs/dbraw/zinc/22/15/31/710221531.db2.gz PEQMXMSIDAZRHX-AWEZNQCLSA-N 2 2 343.456 1.987 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034547299 710221532 /nfs/dbraw/zinc/22/15/32/710221532.db2.gz PEQMXMSIDAZRHX-AWEZNQCLSA-N 2 2 343.456 1.987 20 30 EDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005623150 710740922 /nfs/dbraw/zinc/74/09/22/710740922.db2.gz MTPVHSMWTQKVHS-HNNXBMFYSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005623150 710740928 /nfs/dbraw/zinc/74/09/28/710740928.db2.gz MTPVHSMWTQKVHS-HNNXBMFYSA-N 2 2 328.460 1.769 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001034712176 710870600 /nfs/dbraw/zinc/87/06/00/710870600.db2.gz BEHZBLJTMDHDMH-BQFCYCMXSA-N 2 2 335.492 1.833 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001034712176 710870603 /nfs/dbraw/zinc/87/06/03/710870603.db2.gz BEHZBLJTMDHDMH-BQFCYCMXSA-N 2 2 335.492 1.833 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004141198 711540565 /nfs/dbraw/zinc/54/05/65/711540565.db2.gz DCKOUXHFMPEYCU-GFCCVEGCSA-N 2 2 330.270 1.427 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004141198 711540566 /nfs/dbraw/zinc/54/05/66/711540566.db2.gz DCKOUXHFMPEYCU-GFCCVEGCSA-N 2 2 330.270 1.427 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004468959 711844413 /nfs/dbraw/zinc/84/44/13/711844413.db2.gz JVWMYYUQCYRQTL-SFHVURJKSA-N 2 2 341.455 1.969 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004468959 711844415 /nfs/dbraw/zinc/84/44/15/711844415.db2.gz JVWMYYUQCYRQTL-SFHVURJKSA-N 2 2 341.455 1.969 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004474445 711850804 /nfs/dbraw/zinc/85/08/04/711850804.db2.gz OJYXXNDQHHDHPU-PKOBYXMFSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004474445 711850808 /nfs/dbraw/zinc/85/08/08/711850808.db2.gz OJYXXNDQHHDHPU-PKOBYXMFSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033162599 712269325 /nfs/dbraw/zinc/26/93/25/712269325.db2.gz TVHBRDBXRZAIRX-KGLIPLIRSA-N 2 2 331.382 1.569 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033162599 712269326 /nfs/dbraw/zinc/26/93/26/712269326.db2.gz TVHBRDBXRZAIRX-KGLIPLIRSA-N 2 2 331.382 1.569 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033162599 712269329 /nfs/dbraw/zinc/26/93/29/712269329.db2.gz TVHBRDBXRZAIRX-KGLIPLIRSA-N 2 2 331.382 1.569 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033162599 712269330 /nfs/dbraw/zinc/26/93/30/712269330.db2.gz TVHBRDBXRZAIRX-KGLIPLIRSA-N 2 2 331.382 1.569 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)[N@H+](C)C1 ZINC000328897926 539376436 /nfs/dbraw/zinc/37/64/36/539376436.db2.gz CWLUVFVUQWZVAN-BZSNNMDCSA-N 2 2 347.459 1.563 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)[N@@H+](C)C1 ZINC000328897926 539376442 /nfs/dbraw/zinc/37/64/42/539376442.db2.gz CWLUVFVUQWZVAN-BZSNNMDCSA-N 2 2 347.459 1.563 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[NH+](C)C1 ZINC000328897926 539376448 /nfs/dbraw/zinc/37/64/48/539376448.db2.gz CWLUVFVUQWZVAN-BZSNNMDCSA-N 2 2 347.459 1.563 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[NH+](C)C1 ZINC000328897926 539376452 /nfs/dbraw/zinc/37/64/52/539376452.db2.gz CWLUVFVUQWZVAN-BZSNNMDCSA-N 2 2 347.459 1.563 20 30 EDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cnc12 ZINC000559869700 306259416 /nfs/dbraw/zinc/25/94/16/306259416.db2.gz ADSGVSRQEMAFJV-UHFFFAOYSA-N 2 2 347.426 1.750 20 30 EDEDLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000563013336 306315774 /nfs/dbraw/zinc/31/57/74/306315774.db2.gz IWHDPDIUDVQCEE-MSOLQXFVSA-N 2 2 342.443 1.098 20 30 EDEDLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000563013336 306315775 /nfs/dbraw/zinc/31/57/75/306315775.db2.gz IWHDPDIUDVQCEE-MSOLQXFVSA-N 2 2 342.443 1.098 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000103492266 204082004 /nfs/dbraw/zinc/08/20/04/204082004.db2.gz CDTNTSCBLMTEEW-UHFFFAOYSA-N 2 2 344.459 1.423 20 30 EDEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263268512 249329501 /nfs/dbraw/zinc/32/95/01/249329501.db2.gz VZNQHHYKFCLWKC-MRXNPFEDSA-N 2 2 347.463 1.156 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372947946 250228551 /nfs/dbraw/zinc/22/85/51/250228551.db2.gz MSAGAUBHEDUCTG-AWEZNQCLSA-N 2 2 331.420 1.136 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372947946 250228556 /nfs/dbraw/zinc/22/85/56/250228556.db2.gz MSAGAUBHEDUCTG-AWEZNQCLSA-N 2 2 331.420 1.136 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000491682352 255140808 /nfs/dbraw/zinc/14/08/08/255140808.db2.gz RQOFEIIBXFRMGH-INIZCTEOSA-N 2 2 341.455 1.219 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000491682352 255140810 /nfs/dbraw/zinc/14/08/10/255140810.db2.gz RQOFEIIBXFRMGH-INIZCTEOSA-N 2 2 341.455 1.219 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C3CCOCC3)CC2)cc1 ZINC000271851322 140361133 /nfs/dbraw/zinc/36/11/33/140361133.db2.gz IQDBWNQBQKYOQA-FQEVSTJZSA-N 2 2 343.471 1.900 20 30 EDEDLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626751 151090594 /nfs/dbraw/zinc/09/05/94/151090594.db2.gz LZEORACUWYNFDO-QAPCUYQASA-N 2 2 347.459 1.075 20 30 EDEDLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000357626751 151090596 /nfs/dbraw/zinc/09/05/96/151090596.db2.gz LZEORACUWYNFDO-QAPCUYQASA-N 2 2 347.459 1.075 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000361438545 152396597 /nfs/dbraw/zinc/39/65/97/152396597.db2.gz ALGSUBYTANMSMT-RTBURBONSA-N 2 2 329.444 1.652 20 30 EDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000371824020 156124945 /nfs/dbraw/zinc/12/49/45/156124945.db2.gz UHQWKEHDVQPPAB-YLJYHZDGSA-N 2 2 342.487 1.958 20 30 EDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000371824020 156124952 /nfs/dbraw/zinc/12/49/52/156124952.db2.gz UHQWKEHDVQPPAB-YLJYHZDGSA-N 2 2 342.487 1.958 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579118 270016286 /nfs/dbraw/zinc/01/62/86/270016286.db2.gz BUIXONHZTPZMRC-WBVHZDCISA-N 2 2 335.411 1.887 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579118 270016287 /nfs/dbraw/zinc/01/62/87/270016287.db2.gz BUIXONHZTPZMRC-WBVHZDCISA-N 2 2 335.411 1.887 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611417 306180619 /nfs/dbraw/zinc/18/06/19/306180619.db2.gz ILYMKWGPMHMXMK-PKOBYXMFSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611417 306180620 /nfs/dbraw/zinc/18/06/20/306180620.db2.gz ILYMKWGPMHMXMK-PKOBYXMFSA-N 2 2 347.459 1.244 20 30 EDEDLP C[N@H+](CCNC(=O)C1CC[NH+](CCC#N)CC1)Cc1ccccc1 ZINC000081156149 441236801 /nfs/dbraw/zinc/23/68/01/441236801.db2.gz JJIJLVYSXMDMAI-UHFFFAOYSA-N 2 2 328.460 1.860 20 30 EDEDLP C[N@@H+](CCNC(=O)C1CC[NH+](CCC#N)CC1)Cc1ccccc1 ZINC000081156149 441236805 /nfs/dbraw/zinc/23/68/05/441236805.db2.gz JJIJLVYSXMDMAI-UHFFFAOYSA-N 2 2 328.460 1.860 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000081647637 441299713 /nfs/dbraw/zinc/29/97/13/441299713.db2.gz YNJDCFGAQJJKCB-AWEZNQCLSA-N 2 2 335.398 1.735 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000081647637 441299716 /nfs/dbraw/zinc/29/97/16/441299716.db2.gz YNJDCFGAQJJKCB-AWEZNQCLSA-N 2 2 335.398 1.735 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000081666470 441301352 /nfs/dbraw/zinc/30/13/52/441301352.db2.gz GOTAVJPQYXIWNH-UHFFFAOYSA-N 2 2 329.419 1.568 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000081666470 441301356 /nfs/dbraw/zinc/30/13/56/441301356.db2.gz GOTAVJPQYXIWNH-UHFFFAOYSA-N 2 2 329.419 1.568 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173642321 441811616 /nfs/dbraw/zinc/81/16/16/441811616.db2.gz MYWOHNWTBLJICZ-OAHLLOKOSA-N 2 2 336.480 1.418 20 30 EDEDLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000118986299 441912450 /nfs/dbraw/zinc/91/24/50/441912450.db2.gz UUXVDNSIKWFUJW-SFHVURJKSA-N 2 2 331.460 1.955 20 30 EDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000174722950 441960114 /nfs/dbraw/zinc/96/01/14/441960114.db2.gz IIGSMBYCLLIMFQ-UHFFFAOYSA-N 2 2 329.448 1.066 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157755102 442610786 /nfs/dbraw/zinc/61/07/86/442610786.db2.gz YFGFETJLJLPINO-OAHLLOKOSA-N 2 2 345.491 1.375 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000181979596 442724882 /nfs/dbraw/zinc/72/48/82/442724882.db2.gz IEODPPZAMVHPPA-QAPCUYQASA-N 2 2 342.443 1.142 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1C#N ZINC000189490722 442966248 /nfs/dbraw/zinc/96/62/48/442966248.db2.gz LYJIMYOHXZXZKD-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1C#N ZINC000189490722 442966251 /nfs/dbraw/zinc/96/62/51/442966251.db2.gz LYJIMYOHXZXZKD-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000190608392 443148181 /nfs/dbraw/zinc/14/81/81/443148181.db2.gz MMZILAOPSRFSJQ-ZTFGCOKTSA-N 2 2 326.444 1.731 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000190608392 443148185 /nfs/dbraw/zinc/14/81/85/443148185.db2.gz MMZILAOPSRFSJQ-ZTFGCOKTSA-N 2 2 326.444 1.731 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245626705 443241030 /nfs/dbraw/zinc/24/10/30/443241030.db2.gz PDRAUCWQOBGHGC-QZTJIDSGSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245626705 443241036 /nfs/dbraw/zinc/24/10/36/443241036.db2.gz PDRAUCWQOBGHGC-QZTJIDSGSA-N 2 2 349.523 1.096 20 30 EDEDLP Cc1ccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000264120816 443249770 /nfs/dbraw/zinc/24/97/70/443249770.db2.gz UUAIGCJDPOKJRQ-SFHVURJKSA-N 3 2 347.507 1.224 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000264373822 443267962 /nfs/dbraw/zinc/26/79/62/443267962.db2.gz RRTZOPMPSOHHSQ-UHFFFAOYSA-N 2 2 329.448 1.564 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283084242 443517438 /nfs/dbraw/zinc/51/74/38/443517438.db2.gz LDKWWAIATNCKOC-CABCVRRESA-N 2 2 346.500 1.567 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283084242 443517440 /nfs/dbraw/zinc/51/74/40/443517440.db2.gz LDKWWAIATNCKOC-CABCVRRESA-N 2 2 346.500 1.567 20 30 EDEDLP C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1c[nH+]cn1C ZINC000267822280 443589003 /nfs/dbraw/zinc/58/90/03/443589003.db2.gz XQJFREFEPMZFHU-LLVKDONJSA-N 2 2 325.413 1.712 20 30 EDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274776925 443611745 /nfs/dbraw/zinc/61/17/45/443611745.db2.gz COEOLSRHKJRMLU-UHFFFAOYSA-N 2 2 344.463 1.207 20 30 EDEDLP C=C(C)C[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274776925 443611749 /nfs/dbraw/zinc/61/17/49/443611749.db2.gz COEOLSRHKJRMLU-UHFFFAOYSA-N 2 2 344.463 1.207 20 30 EDEDLP OCC[C@H]([NH2+]CC#CC[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000284217285 443769889 /nfs/dbraw/zinc/76/98/89/443769889.db2.gz UBSPYZWBRGXNIZ-HOTGVXAUSA-N 2 2 332.400 1.602 20 30 EDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000562956999 321083493 /nfs/dbraw/zinc/08/34/93/321083493.db2.gz HWRCHNRSNKAZDP-OLMNPRSZSA-N 2 2 342.443 1.016 20 30 EDEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330186321 444878242 /nfs/dbraw/zinc/87/82/42/444878242.db2.gz JSDXFINRCKSMNW-OAHLLOKOSA-N 2 2 340.431 1.638 20 30 EDEDLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)n1C ZINC000330150853 444863448 /nfs/dbraw/zinc/86/34/48/444863448.db2.gz VXTHNGOGQCMNKY-UHFFFAOYSA-N 2 2 348.495 1.850 20 30 EDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330212739 444891689 /nfs/dbraw/zinc/89/16/89/444891689.db2.gz DUXXPKMWKPMBFG-LSDHHAIUSA-N 2 2 347.463 1.297 20 30 EDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330212739 444891692 /nfs/dbraw/zinc/89/16/92/444891692.db2.gz DUXXPKMWKPMBFG-LSDHHAIUSA-N 2 2 347.463 1.297 20 30 EDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263781 445332032 /nfs/dbraw/zinc/33/20/32/445332032.db2.gz ACPSPSUKRKMFRV-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263781 445332033 /nfs/dbraw/zinc/33/20/33/445332033.db2.gz ACPSPSUKRKMFRV-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263781 445332034 /nfs/dbraw/zinc/33/20/34/445332034.db2.gz ACPSPSUKRKMFRV-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263781 445332035 /nfs/dbraw/zinc/33/20/35/445332035.db2.gz ACPSPSUKRKMFRV-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000348920800 445441886 /nfs/dbraw/zinc/44/18/86/445441886.db2.gz LEMSKZJMTLGDRO-UHFFFAOYSA-N 2 2 332.473 1.606 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566652 445654083 /nfs/dbraw/zinc/65/40/83/445654083.db2.gz BJATXPVWENLIQC-HIFRSBDPSA-N 2 2 332.423 1.935 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566652 445654088 /nfs/dbraw/zinc/65/40/88/445654088.db2.gz BJATXPVWENLIQC-HIFRSBDPSA-N 2 2 332.423 1.935 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453530 445811881 /nfs/dbraw/zinc/81/18/81/445811881.db2.gz YQHRRXRMXCTBES-UHFFFAOYSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453530 445811883 /nfs/dbraw/zinc/81/18/83/445811883.db2.gz YQHRRXRMXCTBES-UHFFFAOYSA-N 2 2 337.508 1.986 20 30 EDEDLP COc1cc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1C#N ZINC000369116648 445938416 /nfs/dbraw/zinc/93/84/16/445938416.db2.gz NELPQKFCLRSIDY-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP COc1cc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1C#N ZINC000369116648 445938423 /nfs/dbraw/zinc/93/84/23/445938423.db2.gz NELPQKFCLRSIDY-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP CN(C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374029661 446348648 /nfs/dbraw/zinc/34/86/48/446348648.db2.gz YWYGESOUUXRLAK-INIZCTEOSA-N 2 2 333.480 1.490 20 30 EDEDLP CN(C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374029661 446348652 /nfs/dbraw/zinc/34/86/52/446348652.db2.gz YWYGESOUUXRLAK-INIZCTEOSA-N 2 2 333.480 1.490 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375507065 446858189 /nfs/dbraw/zinc/85/81/89/446858189.db2.gz FYOIZCTUJCNLEU-XEZPLFJOSA-N 2 2 336.505 1.942 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375507065 446858197 /nfs/dbraw/zinc/85/81/97/446858197.db2.gz FYOIZCTUJCNLEU-XEZPLFJOSA-N 2 2 336.505 1.942 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000491451384 448030886 /nfs/dbraw/zinc/03/08/86/448030886.db2.gz FRASAUVIDDJWSM-SFHVURJKSA-N 2 2 329.444 1.561 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491772490 448116550 /nfs/dbraw/zinc/11/65/50/448116550.db2.gz ASOFYIFDIBNJQJ-UHFFFAOYSA-N 2 2 339.443 1.686 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491772490 448116554 /nfs/dbraw/zinc/11/65/54/448116554.db2.gz ASOFYIFDIBNJQJ-UHFFFAOYSA-N 2 2 339.443 1.686 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000591067342 448251222 /nfs/dbraw/zinc/25/12/22/448251222.db2.gz GQZPFNJHUXPPOK-RBUKOAKNSA-N 2 2 340.471 1.804 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415775 448519307 /nfs/dbraw/zinc/51/93/07/448519307.db2.gz DZDQZGCTLWPFQS-CVEARBPZSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415775 448519311 /nfs/dbraw/zinc/51/93/11/448519311.db2.gz DZDQZGCTLWPFQS-CVEARBPZSA-N 2 2 326.400 1.901 20 30 EDEDLP C[N@H+](C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1 ZINC000595769343 449156906 /nfs/dbraw/zinc/15/69/06/449156906.db2.gz PQPYEYMTYMAANI-GOSISDBHSA-N 2 2 329.444 1.609 20 30 EDEDLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1 ZINC000595769343 449156908 /nfs/dbraw/zinc/15/69/08/449156908.db2.gz PQPYEYMTYMAANI-GOSISDBHSA-N 2 2 329.444 1.609 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCNC(=O)CC3)CC2)c1 ZINC000602029361 449285530 /nfs/dbraw/zinc/28/55/30/449285530.db2.gz VDGDLJRIBFAZHK-QGZVFWFLSA-N 2 2 326.444 1.781 20 30 EDEDLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000596439046 449504055 /nfs/dbraw/zinc/50/40/55/449504055.db2.gz XCPBNVCRHINIRL-HNNXBMFYSA-N 2 2 331.464 1.802 20 30 EDEDLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000596439046 449504056 /nfs/dbraw/zinc/50/40/56/449504056.db2.gz XCPBNVCRHINIRL-HNNXBMFYSA-N 2 2 331.464 1.802 20 30 EDEDLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OCCCC#N ZINC000599010152 449697512 /nfs/dbraw/zinc/69/75/12/449697512.db2.gz QIGKISFYBDWVDC-MRXNPFEDSA-N 2 2 333.432 1.534 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693416 453519375 /nfs/dbraw/zinc/51/93/75/453519375.db2.gz GPJYCGKUPDFOHK-KRWDZBQOSA-N 2 2 339.524 1.872 20 30 EDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478470 487095729 /nfs/dbraw/zinc/09/57/29/487095729.db2.gz ZIDPATJJJLPCJJ-OALUTQOASA-N 2 2 344.503 1.853 20 30 EDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478470 487095735 /nfs/dbraw/zinc/09/57/35/487095735.db2.gz ZIDPATJJJLPCJJ-OALUTQOASA-N 2 2 344.503 1.853 20 30 EDEDLP CC(C)(C)OC(=O)N1CCN2C(NCCCn3cc[nH+]c3)=[NH+]C[C@@H]2C1 ZINC000089119882 526410687 /nfs/dbraw/zinc/41/06/87/526410687.db2.gz GURIZIVIAJZDAS-CQSZACIVSA-N 2 2 348.451 1.154 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000733160934 578746166 /nfs/dbraw/zinc/74/61/66/578746166.db2.gz HPHIHNDXORUSGY-GOSISDBHSA-N 2 2 326.444 1.071 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000733160934 578746167 /nfs/dbraw/zinc/74/61/67/578746167.db2.gz HPHIHNDXORUSGY-GOSISDBHSA-N 2 2 326.444 1.071 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000748824085 579702599 /nfs/dbraw/zinc/70/25/99/579702599.db2.gz GGRHLQPFJGCHIB-AZUAARDMSA-N 2 2 339.483 1.717 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000748824085 579702600 /nfs/dbraw/zinc/70/26/00/579702600.db2.gz GGRHLQPFJGCHIB-AZUAARDMSA-N 2 2 339.483 1.717 20 30 EDEDLP CN(C)c1nccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771562057 580288967 /nfs/dbraw/zinc/28/89/67/580288967.db2.gz ZYGYPWHHDQMJHH-UHFFFAOYSA-N 2 2 339.447 1.740 20 30 EDEDLP NC(=[NH+]OCc1ncccn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000790499659 580771811 /nfs/dbraw/zinc/77/18/11/580771811.db2.gz WXWAAJYHPGHPIV-UHFFFAOYSA-N 2 2 327.388 1.146 20 30 EDEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000892515343 591055594 /nfs/dbraw/zinc/05/55/94/591055594.db2.gz NOEFRJCPNAQPPS-UHFFFAOYSA-N 2 2 341.459 1.314 20 30 EDEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000892515343 591055598 /nfs/dbraw/zinc/05/55/98/591055598.db2.gz NOEFRJCPNAQPPS-UHFFFAOYSA-N 2 2 341.459 1.314 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1C#N ZINC000895597782 591819980 /nfs/dbraw/zinc/81/99/80/591819980.db2.gz LQINWEVQOQDJCU-OAHLLOKOSA-N 2 2 330.436 1.389 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1C#N ZINC000895597782 591819982 /nfs/dbraw/zinc/81/99/82/591819982.db2.gz LQINWEVQOQDJCU-OAHLLOKOSA-N 2 2 330.436 1.389 20 30 EDEDLP C#Cc1cncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000806709754 593111009 /nfs/dbraw/zinc/11/10/09/593111009.db2.gz KPVMLGSNUYUJEJ-UHFFFAOYSA-N 2 2 326.444 1.351 20 30 EDEDLP C#CCC[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817276300 593587558 /nfs/dbraw/zinc/58/75/58/593587558.db2.gz YLRGRKWUGNLAMU-UHFFFAOYSA-N 2 2 327.472 1.660 20 30 EDEDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CCCCC#N)CC2)cc1 ZINC000819016675 593734094 /nfs/dbraw/zinc/73/40/94/593734094.db2.gz QWVOQGIYCPTMIF-SFHVURJKSA-N 2 2 346.475 1.462 20 30 EDEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cnc12 ZINC000843399094 595100872 /nfs/dbraw/zinc/10/08/72/595100872.db2.gz DUDBVIPXFIICAC-KRWDZBQOSA-N 2 2 340.431 1.334 20 30 EDEDLP N#CCC1(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000853658066 595848240 /nfs/dbraw/zinc/84/82/40/595848240.db2.gz KLAIDHWUBIARHA-UHFFFAOYSA-N 2 2 328.416 1.850 20 30 EDEDLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1 ZINC000867997090 596646932 /nfs/dbraw/zinc/64/69/32/596646932.db2.gz ARKDUCWBEQBTOY-ZWKOTPCHSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1 ZINC000867997090 596646935 /nfs/dbraw/zinc/64/69/35/596646935.db2.gz ARKDUCWBEQBTOY-ZWKOTPCHSA-N 2 2 344.459 1.333 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000992687812 695207826 /nfs/dbraw/zinc/20/78/26/695207826.db2.gz DNRDZMNHIJVBPB-CGTJXYLNSA-N 2 2 340.471 1.612 20 30 EDEDLP CN(C)C(=[NH+]CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N(C)C ZINC000153319186 695631831 /nfs/dbraw/zinc/63/18/31/695631831.db2.gz AMJXPQRMURRXLA-UHFFFAOYSA-N 2 2 337.899 1.941 20 30 EDEDLP Cc1cc(C=NN2CC[NH+](C)CC2)c(C)n1CC[NH+]1CCOCC1 ZINC000915934211 696605190 /nfs/dbraw/zinc/60/51/90/696605190.db2.gz WDTYMHYOMAWNQM-UHFFFAOYSA-N 2 2 333.480 1.018 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000996685864 702983679 /nfs/dbraw/zinc/98/36/79/702983679.db2.gz REKPKFPYWXVGTE-INIZCTEOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000996685864 702983680 /nfs/dbraw/zinc/98/36/80/702983680.db2.gz REKPKFPYWXVGTE-INIZCTEOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997187526 703477357 /nfs/dbraw/zinc/47/73/57/703477357.db2.gz QFWPAJOTBALFMM-CZUORRHYSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997187526 703477358 /nfs/dbraw/zinc/47/73/58/703477358.db2.gz QFWPAJOTBALFMM-CZUORRHYSA-N 2 2 328.460 1.673 20 30 EDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443642 703620563 /nfs/dbraw/zinc/62/05/63/703620563.db2.gz AJUBMGFNOKCTJM-YESZJQIVSA-N 2 2 331.464 1.065 20 30 EDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443642 703620565 /nfs/dbraw/zinc/62/05/65/703620565.db2.gz AJUBMGFNOKCTJM-YESZJQIVSA-N 2 2 331.464 1.065 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C)c1 ZINC001032453188 703630216 /nfs/dbraw/zinc/63/02/16/703630216.db2.gz PJYNFANGDYXLNX-UFYCRDLUSA-N 2 2 337.467 1.878 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C)c1 ZINC001032453188 703630218 /nfs/dbraw/zinc/63/02/18/703630218.db2.gz PJYNFANGDYXLNX-UFYCRDLUSA-N 2 2 337.467 1.878 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C)c1 ZINC001032453188 703630219 /nfs/dbraw/zinc/63/02/19/703630219.db2.gz PJYNFANGDYXLNX-UFYCRDLUSA-N 2 2 337.467 1.878 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C)c1 ZINC001032453188 703630221 /nfs/dbraw/zinc/63/02/21/703630221.db2.gz PJYNFANGDYXLNX-UFYCRDLUSA-N 2 2 337.467 1.878 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997650308 703961853 /nfs/dbraw/zinc/96/18/53/703961853.db2.gz WDNCCPCPXVETAF-DOTOQJQBSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050328 705250598 /nfs/dbraw/zinc/25/05/98/705250598.db2.gz GWPCISAESNCRLQ-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050328 705250601 /nfs/dbraw/zinc/25/06/01/705250601.db2.gz GWPCISAESNCRLQ-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC000999390165 706903118 /nfs/dbraw/zinc/90/31/18/706903118.db2.gz DRHNKXBNKTUDEO-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC000999390165 706903121 /nfs/dbraw/zinc/90/31/21/706903121.db2.gz DRHNKXBNKTUDEO-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942678 709149843 /nfs/dbraw/zinc/14/98/43/709149843.db2.gz XEOHVVDOQYXXHK-AEFFLSMTSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942678 709149845 /nfs/dbraw/zinc/14/98/45/709149845.db2.gz XEOHVVDOQYXXHK-AEFFLSMTSA-N 2 2 328.460 1.700 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001034547501 710222100 /nfs/dbraw/zinc/22/21/00/710222100.db2.gz SFXJPVHUBHWHHV-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001034547501 710222102 /nfs/dbraw/zinc/22/21/02/710222102.db2.gz SFXJPVHUBHWHHV-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034701070 710804751 /nfs/dbraw/zinc/80/47/51/710804751.db2.gz PONLWWSPFAZMRA-BZSNNMDCSA-N 2 2 335.492 1.690 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034701070 710804754 /nfs/dbraw/zinc/80/47/54/710804754.db2.gz PONLWWSPFAZMRA-BZSNNMDCSA-N 2 2 335.492 1.690 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032968378 711039820 /nfs/dbraw/zinc/03/98/20/711039820.db2.gz PPEDWILNJILYMW-MOPGFXCFSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032968378 711039824 /nfs/dbraw/zinc/03/98/24/711039824.db2.gz PPEDWILNJILYMW-MOPGFXCFSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968378 711039827 /nfs/dbraw/zinc/03/98/27/711039827.db2.gz PPEDWILNJILYMW-MOPGFXCFSA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968378 711039829 /nfs/dbraw/zinc/03/98/29/711039829.db2.gz PPEDWILNJILYMW-MOPGFXCFSA-N 2 2 325.456 1.665 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645022 712153720 /nfs/dbraw/zinc/15/37/20/712153720.db2.gz MYKGBDMUAAYDJY-IXDOHACOSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645022 712153721 /nfs/dbraw/zinc/15/37/21/712153721.db2.gz MYKGBDMUAAYDJY-IXDOHACOSA-N 2 2 326.444 1.249 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CCOC3)CC2)CC1 ZINC000329383616 539432540 /nfs/dbraw/zinc/43/25/40/539432540.db2.gz OYDLLQJVRBPVGL-GOSISDBHSA-N 2 2 338.496 1.475 20 30 EDEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329399647 539433936 /nfs/dbraw/zinc/43/39/36/539433936.db2.gz YKZAEHPYYZBLJA-MRXNPFEDSA-N 2 2 339.528 1.390 20 30 EDEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329399647 539433940 /nfs/dbraw/zinc/43/39/40/539433940.db2.gz YKZAEHPYYZBLJA-MRXNPFEDSA-N 2 2 339.528 1.390 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000050801598 201125606 /nfs/dbraw/zinc/12/56/06/201125606.db2.gz JUOZWRKALJCDRT-UHFFFAOYSA-N 2 2 326.444 1.847 20 30 EDEDLP C=CCOCCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275768222 201286385 /nfs/dbraw/zinc/28/63/85/201286385.db2.gz RZCXUXYKFHKXNT-MRXNPFEDSA-N 2 2 346.475 1.874 20 30 EDEDLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142797 139096548 /nfs/dbraw/zinc/09/65/48/139096548.db2.gz KQWUANZXVFTUTG-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142797 139096549 /nfs/dbraw/zinc/09/65/49/139096549.db2.gz KQWUANZXVFTUTG-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142797 139096550 /nfs/dbraw/zinc/09/65/50/139096550.db2.gz KQWUANZXVFTUTG-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142797 139096551 /nfs/dbraw/zinc/09/65/51/139096551.db2.gz KQWUANZXVFTUTG-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000263091502 249327950 /nfs/dbraw/zinc/32/79/50/249327950.db2.gz IYGTVBUVFLKGPQ-BETUJISGSA-N 2 2 338.839 1.938 20 30 EDEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000263091502 249327953 /nfs/dbraw/zinc/32/79/53/249327953.db2.gz IYGTVBUVFLKGPQ-BETUJISGSA-N 2 2 338.839 1.938 20 30 EDEDLP C[NH+]=C(NC[C@H](c1ccsc1)[NH+](C)C)N1CCN(C(C)=O)CC1 ZINC000263233782 249329598 /nfs/dbraw/zinc/32/95/98/249329598.db2.gz IUDOYORWWKPWGM-OAHLLOKOSA-N 2 2 337.493 1.090 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)CC1 ZINC000378027325 250295500 /nfs/dbraw/zinc/29/55/00/250295500.db2.gz CDKCYWQCBUILAY-UHFFFAOYSA-N 2 2 341.459 1.215 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(F)cc1 ZINC000424143664 252141792 /nfs/dbraw/zinc/14/17/92/252141792.db2.gz WSCIHQMULUHMGU-CABCVRRESA-N 2 2 329.379 1.786 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1F ZINC000424134616 252136101 /nfs/dbraw/zinc/13/61/01/252136101.db2.gz KXJOPPIMILSHAI-HUUCEWRRSA-N 2 2 329.379 1.786 20 30 EDEDLP C#C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000491626302 255133592 /nfs/dbraw/zinc/13/35/92/255133592.db2.gz IQHYSZJXXRNCRE-WFFDWFOESA-N 2 2 346.519 1.987 20 30 EDEDLP C#C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000491626302 255133593 /nfs/dbraw/zinc/13/35/93/255133593.db2.gz IQHYSZJXXRNCRE-WFFDWFOESA-N 2 2 346.519 1.987 20 30 EDEDLP COc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1C#N ZINC000332119088 141126331 /nfs/dbraw/zinc/12/63/31/141126331.db2.gz KTQKZYZQUAWHOP-UHFFFAOYSA-N 2 2 345.443 1.226 20 30 EDEDLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000333494005 141326249 /nfs/dbraw/zinc/32/62/49/141326249.db2.gz DPBNWYAKIMJBLR-QAPCUYQASA-N 2 2 341.459 1.526 20 30 EDEDLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C#N)c(F)c1 ZINC000346128889 143170521 /nfs/dbraw/zinc/17/05/21/143170521.db2.gz FFVQUHMSEBECCT-INIZCTEOSA-N 2 2 348.466 1.738 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+]3CCO)CC2)cc1 ZINC000449396526 447371967 /nfs/dbraw/zinc/37/19/67/447371967.db2.gz LVABKQPMFFKARC-FQEVSTJZSA-N 2 2 342.487 1.963 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3CCO)CC2)cc1 ZINC000449396526 447371972 /nfs/dbraw/zinc/37/19/72/447371972.db2.gz LVABKQPMFFKARC-FQEVSTJZSA-N 2 2 342.487 1.963 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378322902 447416816 /nfs/dbraw/zinc/41/68/16/447416816.db2.gz YAEKJMVTYLQUNJ-ROUUACIJSA-N 2 2 336.524 1.369 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378322902 447416824 /nfs/dbraw/zinc/41/68/24/447416824.db2.gz YAEKJMVTYLQUNJ-ROUUACIJSA-N 2 2 336.524 1.369 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000089926825 441596565 /nfs/dbraw/zinc/59/65/65/441596565.db2.gz UETFGOKYBWBKTP-UHFFFAOYSA-N 2 2 344.444 1.504 20 30 EDEDLP C=CCSCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000171667715 442368022 /nfs/dbraw/zinc/36/80/22/442368022.db2.gz GGBFRGJKDXMIQB-UHFFFAOYSA-N 2 2 328.526 1.573 20 30 EDEDLP C=CCSCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000171667715 442368025 /nfs/dbraw/zinc/36/80/25/442368025.db2.gz GGBFRGJKDXMIQB-UHFFFAOYSA-N 2 2 328.526 1.573 20 30 EDEDLP N#Cc1cccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000156523030 442490320 /nfs/dbraw/zinc/49/03/20/442490320.db2.gz XRAQRUQMTXNBIQ-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1cccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000156523030 442490323 /nfs/dbraw/zinc/49/03/23/442490323.db2.gz XRAQRUQMTXNBIQ-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000136297047 442658578 /nfs/dbraw/zinc/65/85/78/442658578.db2.gz XKNZDUMBFHYMMG-UHFFFAOYSA-N 2 2 346.456 1.859 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000136297047 442658580 /nfs/dbraw/zinc/65/85/80/442658580.db2.gz XKNZDUMBFHYMMG-UHFFFAOYSA-N 2 2 346.456 1.859 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652141 442764052 /nfs/dbraw/zinc/76/40/52/442764052.db2.gz QFZMYERGSDYFPY-OAGGEKHMSA-N 2 2 344.434 1.954 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652141 442764054 /nfs/dbraw/zinc/76/40/54/442764054.db2.gz QFZMYERGSDYFPY-OAGGEKHMSA-N 2 2 344.434 1.954 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193652141 442764056 /nfs/dbraw/zinc/76/40/56/442764056.db2.gz QFZMYERGSDYFPY-OAGGEKHMSA-N 2 2 344.434 1.954 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193652141 442764058 /nfs/dbraw/zinc/76/40/58/442764058.db2.gz QFZMYERGSDYFPY-OAGGEKHMSA-N 2 2 344.434 1.954 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(O)CCSC3)CC2)cc1 ZINC000181852434 318491366 /nfs/dbraw/zinc/49/13/66/318491366.db2.gz NPLUOIFNRXLMGU-GOSISDBHSA-N 2 2 331.485 1.980 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCS[C@@H](C(C)C)C1 ZINC000261669181 443164141 /nfs/dbraw/zinc/16/41/41/443164141.db2.gz BVUNMYOGICELGX-CQSZACIVSA-N 2 2 338.525 1.635 20 30 EDEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H](O)c1ccc(C)o1 ZINC000262470266 443195156 /nfs/dbraw/zinc/19/51/56/443195156.db2.gz WUEPENMDXIGGIJ-AWEZNQCLSA-N 2 2 331.420 1.519 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264129765 443251705 /nfs/dbraw/zinc/25/17/05/443251705.db2.gz XNRWQGXSIMOYAR-HZPDHXFCSA-N 2 2 333.480 1.136 20 30 EDEDLP C[C@H]1COCC[N@@H+]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000191382352 443287668 /nfs/dbraw/zinc/28/76/68/443287668.db2.gz FFUVDMCXIFBWPF-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1COCC[N@H+]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000191382352 443287669 /nfs/dbraw/zinc/28/76/69/443287669.db2.gz FFUVDMCXIFBWPF-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1COCC[NH+]1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191382352 443287672 /nfs/dbraw/zinc/28/76/72/443287672.db2.gz FFUVDMCXIFBWPF-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1COCC[NH+]1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191382352 443287675 /nfs/dbraw/zinc/28/76/75/443287675.db2.gz FFUVDMCXIFBWPF-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP Cc1oc(C#N)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000280506669 443732337 /nfs/dbraw/zinc/73/23/37/443732337.db2.gz CPANCNGEEWQWPF-UHFFFAOYSA-N 2 2 330.432 1.748 20 30 EDEDLP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1C#N ZINC000284447121 443775646 /nfs/dbraw/zinc/77/56/46/443775646.db2.gz GCKRTOBJYWIBAQ-RDTXWAMCSA-N 2 2 339.399 1.410 20 30 EDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC000299628872 444100186 /nfs/dbraw/zinc/10/01/86/444100186.db2.gz KUCITWQHVQCBMK-UHFFFAOYSA-N 2 2 325.416 1.735 20 30 EDEDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)CC1 ZINC000331312537 444464837 /nfs/dbraw/zinc/46/48/37/444464837.db2.gz VPSJDXHZYXCLLN-QGZVFWFLSA-N 2 2 349.523 1.237 20 30 EDEDLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331195757 444439398 /nfs/dbraw/zinc/43/93/98/444439398.db2.gz YSEORBHSDNUGMY-LLVKDONJSA-N 2 2 333.358 1.743 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329819528 444729169 /nfs/dbraw/zinc/72/91/69/444729169.db2.gz XUSLADQCFHBYBO-NVXWUHKLSA-N 2 2 349.479 1.538 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329819528 444729174 /nfs/dbraw/zinc/72/91/74/444729174.db2.gz XUSLADQCFHBYBO-NVXWUHKLSA-N 2 2 349.479 1.538 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284954 444922562 /nfs/dbraw/zinc/92/25/62/444922562.db2.gz YEHJKHFDKBCWBA-ZACQAIPSSA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284954 444922567 /nfs/dbraw/zinc/92/25/67/444922567.db2.gz YEHJKHFDKBCWBA-ZACQAIPSSA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284954 444922571 /nfs/dbraw/zinc/92/25/71/444922571.db2.gz YEHJKHFDKBCWBA-ZACQAIPSSA-N 2 2 339.480 1.553 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)C1 ZINC000330284954 444922575 /nfs/dbraw/zinc/92/25/75/444922575.db2.gz YEHJKHFDKBCWBA-ZACQAIPSSA-N 2 2 339.480 1.553 20 30 EDEDLP N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CCCCC1 ZINC000363414664 445794224 /nfs/dbraw/zinc/79/42/24/445794224.db2.gz PXLMUOWBYAWCBA-IKGGRYGDSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CCCCC1 ZINC000363414664 445794227 /nfs/dbraw/zinc/79/42/27/445794227.db2.gz PXLMUOWBYAWCBA-IKGGRYGDSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CCCCC1 ZINC000363414664 445794233 /nfs/dbraw/zinc/79/42/33/445794233.db2.gz PXLMUOWBYAWCBA-IKGGRYGDSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CCCCC1 ZINC000363414664 445794237 /nfs/dbraw/zinc/79/42/37/445794237.db2.gz PXLMUOWBYAWCBA-IKGGRYGDSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCCCC1 ZINC000363414663 445794519 /nfs/dbraw/zinc/79/45/19/445794519.db2.gz PXLMUOWBYAWCBA-BRWVUGGUSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCCCC1 ZINC000363414663 445794521 /nfs/dbraw/zinc/79/45/21/445794521.db2.gz PXLMUOWBYAWCBA-BRWVUGGUSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCCCC1 ZINC000363414663 445794523 /nfs/dbraw/zinc/79/45/23/445794523.db2.gz PXLMUOWBYAWCBA-BRWVUGGUSA-N 2 2 330.476 1.745 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCCCC1 ZINC000363414663 445794526 /nfs/dbraw/zinc/79/45/26/445794526.db2.gz PXLMUOWBYAWCBA-BRWVUGGUSA-N 2 2 330.476 1.745 20 30 EDEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242859 445798715 /nfs/dbraw/zinc/79/87/15/445798715.db2.gz AYVRUMSXBAJVIR-ZWKOTPCHSA-N 2 2 344.459 1.517 20 30 EDEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242859 445798718 /nfs/dbraw/zinc/79/87/18/445798718.db2.gz AYVRUMSXBAJVIR-ZWKOTPCHSA-N 2 2 344.459 1.517 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369647527 446140342 /nfs/dbraw/zinc/14/03/42/446140342.db2.gz KABZNKJOWCUNQG-RCCFBDPRSA-N 2 2 335.492 1.595 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369647527 446140345 /nfs/dbraw/zinc/14/03/45/446140345.db2.gz KABZNKJOWCUNQG-RCCFBDPRSA-N 2 2 335.492 1.595 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000365648521 446286486 /nfs/dbraw/zinc/28/64/86/446286486.db2.gz JTMGSTBXQFRZFH-KRWDZBQOSA-N 2 2 337.427 1.788 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000365648521 446286491 /nfs/dbraw/zinc/28/64/91/446286491.db2.gz JTMGSTBXQFRZFH-KRWDZBQOSA-N 2 2 337.427 1.788 20 30 EDEDLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418456977 446550813 /nfs/dbraw/zinc/55/08/13/446550813.db2.gz DHGDLAVVTUYGSP-GOSISDBHSA-N 2 2 343.475 1.903 20 30 EDEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375392501 446768713 /nfs/dbraw/zinc/76/87/13/446768713.db2.gz RGMOVXSSWAHBEF-UHFFFAOYSA-N 2 2 349.862 1.871 20 30 EDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000438292744 446789424 /nfs/dbraw/zinc/78/94/24/446789424.db2.gz GFGWFBDDNDKDDG-NVXWUHKLSA-N 2 2 338.496 1.293 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)CC1 ZINC000454464267 446880336 /nfs/dbraw/zinc/88/03/36/446880336.db2.gz NEUWJPHHYXAIKS-IRXDYDNUSA-N 2 2 336.480 1.141 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363605 447469489 /nfs/dbraw/zinc/46/94/89/447469489.db2.gz KRYUDLBGZOZGOR-ZDUSSCGKSA-N 2 2 329.448 1.435 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363605 447469494 /nfs/dbraw/zinc/46/94/94/447469494.db2.gz KRYUDLBGZOZGOR-ZDUSSCGKSA-N 2 2 329.448 1.435 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)C1=O ZINC000451021275 447653054 /nfs/dbraw/zinc/65/30/54/447653054.db2.gz CIUOHEQHOWXUMO-GJZGRUSLSA-N 2 2 330.432 1.388 20 30 EDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)C1=O ZINC000451021275 447653057 /nfs/dbraw/zinc/65/30/57/447653057.db2.gz CIUOHEQHOWXUMO-GJZGRUSLSA-N 2 2 330.432 1.388 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1C#N ZINC000530360992 447869665 /nfs/dbraw/zinc/86/96/65/447869665.db2.gz WIQRRXVLKARDCL-INIZCTEOSA-N 2 2 330.480 1.597 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000530360992 447869668 /nfs/dbraw/zinc/86/96/68/447869668.db2.gz WIQRRXVLKARDCL-INIZCTEOSA-N 2 2 330.480 1.597 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC000490854255 447900248 /nfs/dbraw/zinc/90/02/48/447900248.db2.gz YYSCSNUZPOOHSW-QGZVFWFLSA-N 2 2 343.471 1.335 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC000490854255 447900253 /nfs/dbraw/zinc/90/02/53/447900253.db2.gz YYSCSNUZPOOHSW-QGZVFWFLSA-N 2 2 343.471 1.335 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491022424 447918257 /nfs/dbraw/zinc/91/82/57/447918257.db2.gz QWUZSFMMMNKFQU-ZIAGYGMSSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491022424 447918260 /nfs/dbraw/zinc/91/82/60/447918260.db2.gz QWUZSFMMMNKFQU-ZIAGYGMSSA-N 2 2 331.382 1.427 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000562985007 448278058 /nfs/dbraw/zinc/27/80/58/448278058.db2.gz NSXPBKKHJMSFTA-GOSISDBHSA-N 2 2 332.444 1.869 20 30 EDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528416156 448518691 /nfs/dbraw/zinc/51/86/91/448518691.db2.gz GHMFCLYRDKLWNR-HNNXBMFYSA-N 2 2 348.406 1.889 20 30 EDEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528416156 448518696 /nfs/dbraw/zinc/51/86/96/448518696.db2.gz GHMFCLYRDKLWNR-HNNXBMFYSA-N 2 2 348.406 1.889 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528426949 448525004 /nfs/dbraw/zinc/52/50/04/448525004.db2.gz MHIVEYAFEFHCLH-OAHLLOKOSA-N 2 2 348.406 1.509 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528426949 448525009 /nfs/dbraw/zinc/52/50/09/448525009.db2.gz MHIVEYAFEFHCLH-OAHLLOKOSA-N 2 2 348.406 1.509 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183604 448725219 /nfs/dbraw/zinc/72/52/19/448725219.db2.gz UUGUSUSYLTUDAQ-INIZCTEOSA-N 2 2 348.491 1.514 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183604 448725223 /nfs/dbraw/zinc/72/52/23/448725223.db2.gz UUGUSUSYLTUDAQ-INIZCTEOSA-N 2 2 348.491 1.514 20 30 EDEDLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602034905 449290072 /nfs/dbraw/zinc/29/00/72/449290072.db2.gz WBKDLYBRHMZXKF-GOSISDBHSA-N 2 2 326.444 1.544 20 30 EDEDLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602034905 449290074 /nfs/dbraw/zinc/29/00/74/449290074.db2.gz WBKDLYBRHMZXKF-GOSISDBHSA-N 2 2 326.444 1.544 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000594974901 449825648 /nfs/dbraw/zinc/82/56/48/449825648.db2.gz NCYBBJMXBQBPSC-INIZCTEOSA-N 2 2 328.441 1.871 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000594974901 449825652 /nfs/dbraw/zinc/82/56/52/449825652.db2.gz NCYBBJMXBQBPSC-INIZCTEOSA-N 2 2 328.441 1.871 20 30 EDEDLP N#CC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000595089954 449864884 /nfs/dbraw/zinc/86/48/84/449864884.db2.gz ARPYQALIUFGNIM-UHFFFAOYSA-N 2 2 334.508 1.847 20 30 EDEDLP N#CC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCCC1 ZINC000595089954 449864889 /nfs/dbraw/zinc/86/48/89/449864889.db2.gz ARPYQALIUFGNIM-UHFFFAOYSA-N 2 2 334.508 1.847 20 30 EDEDLP CN(C(=O)c1ccc(C#N)c(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615428908 450093948 /nfs/dbraw/zinc/09/39/48/450093948.db2.gz FNXNGFUKNUCUBF-KRWDZBQOSA-N 2 2 342.443 1.504 20 30 EDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508446 450196774 /nfs/dbraw/zinc/19/67/74/450196774.db2.gz XPCYWWWBBBAQTG-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508446 450196778 /nfs/dbraw/zinc/19/67/78/450196778.db2.gz XPCYWWWBBBAQTG-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508446 450196780 /nfs/dbraw/zinc/19/67/80/450196780.db2.gz XPCYWWWBBBAQTG-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595508446 450196782 /nfs/dbraw/zinc/19/67/82/450196782.db2.gz XPCYWWWBBBAQTG-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000104160692 533988755 /nfs/dbraw/zinc/98/87/55/533988755.db2.gz SVVRELHXRUFQCD-KRWDZBQOSA-N 2 2 333.480 1.694 20 30 EDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000731150874 578668635 /nfs/dbraw/zinc/66/86/35/578668635.db2.gz JDUDYYHLYTURQC-UKRRQHHQSA-N 2 2 327.436 1.697 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734134669 578799890 /nfs/dbraw/zinc/79/98/90/578799890.db2.gz VZPMLRMIFXQBRP-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734134669 578799891 /nfs/dbraw/zinc/79/98/91/578799891.db2.gz VZPMLRMIFXQBRP-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000734134669 578799892 /nfs/dbraw/zinc/79/98/92/578799892.db2.gz VZPMLRMIFXQBRP-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000734134669 578799893 /nfs/dbraw/zinc/79/98/93/578799893.db2.gz VZPMLRMIFXQBRP-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000734487652 578816296 /nfs/dbraw/zinc/81/62/96/578816296.db2.gz UCRLKSZDLIALCU-SFHVURJKSA-N 2 2 328.460 1.801 20 30 EDEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C1 ZINC000734487652 578816298 /nfs/dbraw/zinc/81/62/98/578816298.db2.gz UCRLKSZDLIALCU-SFHVURJKSA-N 2 2 328.460 1.801 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000748813282 579700745 /nfs/dbraw/zinc/70/07/45/579700745.db2.gz LIOOXTVCHACWTA-LJQANCHMSA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000748813282 579700747 /nfs/dbraw/zinc/70/07/47/579700747.db2.gz LIOOXTVCHACWTA-LJQANCHMSA-N 2 2 343.446 1.610 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905441623 592535430 /nfs/dbraw/zinc/53/54/30/592535430.db2.gz VIICCEQSCRKEJL-GOSISDBHSA-N 2 2 326.444 1.522 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000905441623 592535434 /nfs/dbraw/zinc/53/54/34/592535434.db2.gz VIICCEQSCRKEJL-GOSISDBHSA-N 2 2 326.444 1.522 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000808791460 593288356 /nfs/dbraw/zinc/28/83/56/593288356.db2.gz YHASDVUVKZBRLJ-UHFFFAOYSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000808791460 593288358 /nfs/dbraw/zinc/28/83/58/593288358.db2.gz YHASDVUVKZBRLJ-UHFFFAOYSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000814666342 593599880 /nfs/dbraw/zinc/59/98/80/593599880.db2.gz GMLAMZQDIDQPQB-QGZVFWFLSA-N 2 2 345.874 1.907 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000814666342 593599882 /nfs/dbraw/zinc/59/98/82/593599882.db2.gz GMLAMZQDIDQPQB-QGZVFWFLSA-N 2 2 345.874 1.907 20 30 EDEDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CCCCC#N)CC2)cc1 ZINC000819016674 593733977 /nfs/dbraw/zinc/73/39/77/593733977.db2.gz QWVOQGIYCPTMIF-GOSISDBHSA-N 2 2 346.475 1.462 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000852884144 595597781 /nfs/dbraw/zinc/59/77/81/595597781.db2.gz UEEASLOHBTVZKD-UHFFFAOYSA-N 2 2 345.874 1.987 20 30 EDEDLP CCO[C@@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000863456166 596590323 /nfs/dbraw/zinc/59/03/23/596590323.db2.gz ITOFSAOYKJLGRZ-SFHVURJKSA-N 2 2 347.459 1.971 20 30 EDEDLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1 ZINC000867997087 596647486 /nfs/dbraw/zinc/64/74/86/596647486.db2.gz ARKDUCWBEQBTOY-MSOLQXFVSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1 ZINC000867997087 596647489 /nfs/dbraw/zinc/64/74/89/596647489.db2.gz ARKDUCWBEQBTOY-MSOLQXFVSA-N 2 2 344.459 1.333 20 30 EDEDLP C#CC1(F)CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000883467864 597760725 /nfs/dbraw/zinc/76/07/25/597760725.db2.gz BDZIURFGCBEVLQ-UHFFFAOYSA-N 2 2 336.455 1.303 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031579694 697275252 /nfs/dbraw/zinc/27/52/52/697275252.db2.gz KDMUHMHNLCXIJN-SFHVURJKSA-N 2 2 345.874 1.834 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031579694 697275253 /nfs/dbraw/zinc/27/52/53/697275253.db2.gz KDMUHMHNLCXIJN-SFHVURJKSA-N 2 2 345.874 1.834 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2F)C1 ZINC001031741221 698313679 /nfs/dbraw/zinc/31/36/79/698313679.db2.gz SRIFNRAFZBCWIJ-IBGZPJMESA-N 2 2 343.446 1.514 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2F)C1 ZINC001031741221 698313681 /nfs/dbraw/zinc/31/36/81/698313681.db2.gz SRIFNRAFZBCWIJ-IBGZPJMESA-N 2 2 343.446 1.514 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000939621990 699758530 /nfs/dbraw/zinc/75/85/30/699758530.db2.gz HHFXKZFHWASIHH-ACJLOTCBSA-N 2 2 337.427 1.769 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940157912 700289354 /nfs/dbraw/zinc/28/93/54/700289354.db2.gz FICOMEVWBJUQCK-HNNXBMFYSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940157912 700289358 /nfs/dbraw/zinc/28/93/58/700289358.db2.gz FICOMEVWBJUQCK-HNNXBMFYSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940157954 700289919 /nfs/dbraw/zinc/28/99/19/700289919.db2.gz HQPBCOLLCJWXFP-HNNXBMFYSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940157954 700289922 /nfs/dbraw/zinc/28/99/22/700289922.db2.gz HQPBCOLLCJWXFP-HNNXBMFYSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850853 700952105 /nfs/dbraw/zinc/95/21/05/700952105.db2.gz ORZSRKMCFOGTDQ-PBHICJAKSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850853 700952107 /nfs/dbraw/zinc/95/21/07/700952107.db2.gz ORZSRKMCFOGTDQ-PBHICJAKSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850853 700952109 /nfs/dbraw/zinc/95/21/09/700952109.db2.gz ORZSRKMCFOGTDQ-PBHICJAKSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850853 700952111 /nfs/dbraw/zinc/95/21/11/700952111.db2.gz ORZSRKMCFOGTDQ-PBHICJAKSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852572 700952607 /nfs/dbraw/zinc/95/26/07/700952607.db2.gz BMCVSFIFLMOSMD-INIZCTEOSA-N 2 2 332.448 1.590 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852572 700952608 /nfs/dbraw/zinc/95/26/08/700952608.db2.gz BMCVSFIFLMOSMD-INIZCTEOSA-N 2 2 332.448 1.590 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979050 702040931 /nfs/dbraw/zinc/04/09/31/702040931.db2.gz XYIJNJLEKYKHFE-BEFAXECRSA-N 2 2 343.446 1.423 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979050 702040940 /nfs/dbraw/zinc/04/09/40/702040940.db2.gz XYIJNJLEKYKHFE-BEFAXECRSA-N 2 2 343.446 1.423 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001032182221 702189913 /nfs/dbraw/zinc/18/99/13/702189913.db2.gz HRKRXESZVSNCDX-INIZCTEOSA-N 2 2 330.407 1.197 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001032182221 702189919 /nfs/dbraw/zinc/18/99/19/702189919.db2.gz HRKRXESZVSNCDX-INIZCTEOSA-N 2 2 330.407 1.197 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373058 702740494 /nfs/dbraw/zinc/74/04/94/702740494.db2.gz CDYYPSBAYPDBOW-MRXNPFEDSA-N 2 2 335.492 1.644 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000997179907 703470016 /nfs/dbraw/zinc/47/00/16/703470016.db2.gz LXHSJFPQLGPAQT-UHFFFAOYSA-N 2 2 337.427 1.615 20 30 EDEDLP C=C(Br)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997181250 703471728 /nfs/dbraw/zinc/47/17/28/703471728.db2.gz YCBUHHVPIBXYFE-UHFFFAOYSA-N 2 2 341.253 1.452 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643408 703952249 /nfs/dbraw/zinc/95/22/49/703952249.db2.gz CIFGTFGDYYMQAD-DOTOQJQBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997650312 703962233 /nfs/dbraw/zinc/96/22/33/703962233.db2.gz WDNCCPCPXVETAF-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095219 704181038 /nfs/dbraw/zinc/18/10/38/704181038.db2.gz UOGKWKRFFDWBGJ-PBHICJAKSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095219 704181041 /nfs/dbraw/zinc/18/10/41/704181041.db2.gz UOGKWKRFFDWBGJ-PBHICJAKSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095219 704181048 /nfs/dbraw/zinc/18/10/48/704181048.db2.gz UOGKWKRFFDWBGJ-PBHICJAKSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942932 704795219 /nfs/dbraw/zinc/79/52/19/704795219.db2.gz DFLBRLYZIOOQSL-GXTWGEPZSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942932 704795221 /nfs/dbraw/zinc/79/52/21/704795221.db2.gz DFLBRLYZIOOQSL-GXTWGEPZSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585606 705064576 /nfs/dbraw/zinc/06/45/76/705064576.db2.gz OONODZNZQNTTRC-FHWLQOOXSA-N 2 2 347.503 1.881 20 30 EDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585606 705064580 /nfs/dbraw/zinc/06/45/80/705064580.db2.gz OONODZNZQNTTRC-FHWLQOOXSA-N 2 2 347.503 1.881 20 30 EDEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585606 705064584 /nfs/dbraw/zinc/06/45/84/705064584.db2.gz OONODZNZQNTTRC-FHWLQOOXSA-N 2 2 347.503 1.881 20 30 EDEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001032585606 705064591 /nfs/dbraw/zinc/06/45/91/705064591.db2.gz OONODZNZQNTTRC-FHWLQOOXSA-N 2 2 347.503 1.881 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051011 705253098 /nfs/dbraw/zinc/25/30/98/705253098.db2.gz KPBHKQQRPMWZFY-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051011 705253100 /nfs/dbraw/zinc/25/31/00/705253100.db2.gz KPBHKQQRPMWZFY-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999392791 706905827 /nfs/dbraw/zinc/90/58/27/706905827.db2.gz USVSPKSCYGJDTQ-ROUUACIJSA-N 2 2 343.475 1.081 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999392791 706905828 /nfs/dbraw/zinc/90/58/28/706905828.db2.gz USVSPKSCYGJDTQ-ROUUACIJSA-N 2 2 343.475 1.081 20 30 EDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946697682 707155091 /nfs/dbraw/zinc/15/50/91/707155091.db2.gz XBJCSDALFXHICH-CEXWTWQISA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946697682 707155093 /nfs/dbraw/zinc/15/50/93/707155093.db2.gz XBJCSDALFXHICH-CEXWTWQISA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697682 707155095 /nfs/dbraw/zinc/15/50/95/707155095.db2.gz XBJCSDALFXHICH-CEXWTWQISA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697682 707155097 /nfs/dbraw/zinc/15/50/97/707155097.db2.gz XBJCSDALFXHICH-CEXWTWQISA-N 2 2 347.503 1.291 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001757579 708281166 /nfs/dbraw/zinc/28/11/66/708281166.db2.gz WOIRNBLQTMBBOI-IBGZPJMESA-N 2 2 347.503 1.481 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001757579 708281168 /nfs/dbraw/zinc/28/11/68/708281168.db2.gz WOIRNBLQTMBBOI-IBGZPJMESA-N 2 2 347.503 1.481 20 30 EDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001034547520 710222055 /nfs/dbraw/zinc/22/20/55/710222055.db2.gz SXGMOFMJGDNPLI-GOSISDBHSA-N 2 2 337.427 1.926 20 30 EDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001034547520 710222056 /nfs/dbraw/zinc/22/20/56/710222056.db2.gz SXGMOFMJGDNPLI-GOSISDBHSA-N 2 2 337.427 1.926 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001034649630 710326095 /nfs/dbraw/zinc/32/60/95/710326095.db2.gz OFUMYAZBUQLMIA-CKEIUWERSA-N 2 2 331.464 1.993 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001034649630 710326098 /nfs/dbraw/zinc/32/60/98/710326098.db2.gz OFUMYAZBUQLMIA-CKEIUWERSA-N 2 2 331.464 1.993 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034701071 710804805 /nfs/dbraw/zinc/80/48/05/710804805.db2.gz PONLWWSPFAZMRA-KZNAEPCWSA-N 2 2 335.492 1.690 20 30 EDEDLP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034701071 710804807 /nfs/dbraw/zinc/80/48/07/710804807.db2.gz PONLWWSPFAZMRA-KZNAEPCWSA-N 2 2 335.492 1.690 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032968379 711039787 /nfs/dbraw/zinc/03/97/87/711039787.db2.gz PPEDWILNJILYMW-OALUTQOASA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032968379 711039789 /nfs/dbraw/zinc/03/97/89/711039789.db2.gz PPEDWILNJILYMW-OALUTQOASA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968379 711039790 /nfs/dbraw/zinc/03/97/90/711039790.db2.gz PPEDWILNJILYMW-OALUTQOASA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001032968379 711039792 /nfs/dbraw/zinc/03/97/92/711039792.db2.gz PPEDWILNJILYMW-OALUTQOASA-N 2 2 325.456 1.665 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032968654 711043754 /nfs/dbraw/zinc/04/37/54/711043754.db2.gz SFTPBANEXCQSQD-RTBURBONSA-N 2 2 343.446 1.804 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032968654 711043757 /nfs/dbraw/zinc/04/37/57/711043757.db2.gz SFTPBANEXCQSQD-RTBURBONSA-N 2 2 343.446 1.804 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032968654 711043762 /nfs/dbraw/zinc/04/37/62/711043762.db2.gz SFTPBANEXCQSQD-RTBURBONSA-N 2 2 343.446 1.804 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969773 711049991 /nfs/dbraw/zinc/04/99/91/711049991.db2.gz ZVAKVLPACKGMCO-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969773 711049996 /nfs/dbraw/zinc/04/99/96/711049996.db2.gz ZVAKVLPACKGMCO-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969773 711050002 /nfs/dbraw/zinc/05/00/02/711050002.db2.gz ZVAKVLPACKGMCO-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969773 711050005 /nfs/dbraw/zinc/05/00/05/711050005.db2.gz ZVAKVLPACKGMCO-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004148976 711562474 /nfs/dbraw/zinc/56/24/74/711562474.db2.gz ZAVIACKSBNMFMQ-UHFFFAOYSA-N 2 2 344.434 1.874 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000329049382 539400642 /nfs/dbraw/zinc/40/06/42/539400642.db2.gz KJRXQKNTGKUQER-WBVHZDCISA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000329049382 539400646 /nfs/dbraw/zinc/40/06/46/539400646.db2.gz KJRXQKNTGKUQER-WBVHZDCISA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000245999264 139091923 /nfs/dbraw/zinc/09/19/23/139091923.db2.gz JPALDOUQDASGCJ-HNAYVOBHSA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000245999264 139091924 /nfs/dbraw/zinc/09/19/24/139091924.db2.gz JPALDOUQDASGCJ-HNAYVOBHSA-N 2 2 329.444 1.777 20 30 EDEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccn1 ZINC000263230938 249328349 /nfs/dbraw/zinc/32/83/49/249328349.db2.gz IBBPONPIRJGNIQ-MRXNPFEDSA-N 2 2 325.416 1.709 20 30 EDEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccn1 ZINC000263230938 249328354 /nfs/dbraw/zinc/32/83/54/249328354.db2.gz IBBPONPIRJGNIQ-MRXNPFEDSA-N 2 2 325.416 1.709 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000424147522 252144102 /nfs/dbraw/zinc/14/41/02/252144102.db2.gz RNJDQUXRSVGXAB-MSOLQXFVSA-N 2 2 344.459 1.067 20 30 EDEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424173217 252152299 /nfs/dbraw/zinc/15/22/99/252152299.db2.gz NYIHAWXPGPYAKZ-JYJNAYRXSA-N 2 2 336.386 1.847 20 30 EDEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424173217 252152303 /nfs/dbraw/zinc/15/23/03/252152303.db2.gz NYIHAWXPGPYAKZ-JYJNAYRXSA-N 2 2 336.386 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947914 255111736 /nfs/dbraw/zinc/11/17/36/255111736.db2.gz BHVJFOZFWMAQHK-ZWKOTPCHSA-N 3 2 346.519 1.006 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947914 255111738 /nfs/dbraw/zinc/11/17/38/255111738.db2.gz BHVJFOZFWMAQHK-ZWKOTPCHSA-N 3 2 346.519 1.006 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000491682353 255140481 /nfs/dbraw/zinc/14/04/81/255140481.db2.gz RQOFEIIBXFRMGH-MRXNPFEDSA-N 2 2 341.455 1.219 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000491682353 255140483 /nfs/dbraw/zinc/14/04/83/255140483.db2.gz RQOFEIIBXFRMGH-MRXNPFEDSA-N 2 2 341.455 1.219 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H](C)c2ccccc2)CC1 ZINC000491630603 255134386 /nfs/dbraw/zinc/13/43/86/255134386.db2.gz NHNVOGFOLRUJOF-GOSISDBHSA-N 2 2 343.471 1.473 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H](C)c2ccccc2)CC1 ZINC000491630603 255134388 /nfs/dbraw/zinc/13/43/88/255134388.db2.gz NHNVOGFOLRUJOF-GOSISDBHSA-N 2 2 343.471 1.473 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(C#N)cc3)C2)CC1 ZINC000364207712 153173946 /nfs/dbraw/zinc/17/39/46/153173946.db2.gz PAPUIHGNRWPTLT-MRXNPFEDSA-N 2 2 342.443 1.222 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(C#N)cc3)C2)CC1 ZINC000364207712 153173947 /nfs/dbraw/zinc/17/39/47/153173947.db2.gz PAPUIHGNRWPTLT-MRXNPFEDSA-N 2 2 342.443 1.222 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000458580103 447420402 /nfs/dbraw/zinc/42/04/02/447420402.db2.gz FKBUXTIIIPHABG-UHFFFAOYSA-N 2 2 347.438 1.523 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@H]1CCCO1 ZINC000072740330 441255934 /nfs/dbraw/zinc/25/59/34/441255934.db2.gz VZHABQZLGPEZKD-OAHLLOKOSA-N 2 2 328.420 1.420 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC000081647456 441298922 /nfs/dbraw/zinc/29/89/22/441298922.db2.gz RNBAZUHSEGBMIF-LJQANCHMSA-N 2 2 341.455 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC000081647456 441298927 /nfs/dbraw/zinc/29/89/27/441298927.db2.gz RNBAZUHSEGBMIF-LJQANCHMSA-N 2 2 341.455 1.610 20 30 EDEDLP C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000043180561 441824983 /nfs/dbraw/zinc/82/49/83/441824983.db2.gz QTSVNAKOFVGURT-UHFFFAOYSA-N 2 2 341.459 1.480 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000177381826 442334703 /nfs/dbraw/zinc/33/47/03/442334703.db2.gz MAZDWRHTBGTCJU-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000177381826 442334706 /nfs/dbraw/zinc/33/47/06/442334706.db2.gz MAZDWRHTBGTCJU-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@H+](C)CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000177381826 442334708 /nfs/dbraw/zinc/33/47/08/442334708.db2.gz MAZDWRHTBGTCJU-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000177381826 442334711 /nfs/dbraw/zinc/33/47/11/442334711.db2.gz MAZDWRHTBGTCJU-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963955 443176078 /nfs/dbraw/zinc/17/60/78/443176078.db2.gz LAUUVTQVQUNQDP-XJKSGUPXSA-N 2 2 329.452 1.963 20 30 EDEDLP CC[C@H](C)NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264132767 443251997 /nfs/dbraw/zinc/25/19/97/443251997.db2.gz YMNGANJLPRRJIA-HNNXBMFYSA-N 2 2 334.464 1.600 20 30 EDEDLP CC#CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000293357108 443993396 /nfs/dbraw/zinc/99/33/96/443993396.db2.gz ZQISNJSTWZRZID-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP CC#CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000293357108 443993400 /nfs/dbraw/zinc/99/34/00/443993400.db2.gz ZQISNJSTWZRZID-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP CC#CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000293357108 443993408 /nfs/dbraw/zinc/99/34/08/443993408.db2.gz ZQISNJSTWZRZID-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C[NH+]1CCC(CNC(=O)Cn2cnc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000330216054 444892060 /nfs/dbraw/zinc/89/20/60/444892060.db2.gz HKZQLHZVBSCQIF-UHFFFAOYSA-N 2 2 345.451 1.057 20 30 EDEDLP CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330335507 444941529 /nfs/dbraw/zinc/94/15/29/444941529.db2.gz RPZXXXQGIZBWKB-GDBMZVCRSA-N 2 2 335.452 1.628 20 30 EDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337267283 445009678 /nfs/dbraw/zinc/00/96/78/445009678.db2.gz ISTDECKKZJWBSG-GOSISDBHSA-N 2 2 349.523 1.096 20 30 EDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337267283 445009682 /nfs/dbraw/zinc/00/96/82/445009682.db2.gz ISTDECKKZJWBSG-GOSISDBHSA-N 2 2 349.523 1.096 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453332 445811825 /nfs/dbraw/zinc/81/18/25/445811825.db2.gz VOGGOIZVIYDWQS-UHFFFAOYSA-N 2 2 335.492 1.762 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453332 445811828 /nfs/dbraw/zinc/81/18/28/445811828.db2.gz VOGGOIZVIYDWQS-UHFFFAOYSA-N 2 2 335.492 1.762 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000369257782 446026176 /nfs/dbraw/zinc/02/61/76/446026176.db2.gz JJWQCBWMYLLOIV-SOLBZPMBSA-N 2 2 347.507 1.816 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000369257782 446026178 /nfs/dbraw/zinc/02/61/78/446026178.db2.gz JJWQCBWMYLLOIV-SOLBZPMBSA-N 2 2 347.507 1.816 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000369257782 446026182 /nfs/dbraw/zinc/02/61/82/446026182.db2.gz JJWQCBWMYLLOIV-SOLBZPMBSA-N 2 2 347.507 1.816 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000369257782 446026186 /nfs/dbraw/zinc/02/61/86/446026186.db2.gz JJWQCBWMYLLOIV-SOLBZPMBSA-N 2 2 347.507 1.816 20 30 EDEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212224 446083990 /nfs/dbraw/zinc/08/39/90/446083990.db2.gz VVMCURKFFGCSIX-ROUUACIJSA-N 2 2 326.444 1.591 20 30 EDEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212224 446083998 /nfs/dbraw/zinc/08/39/98/446083998.db2.gz VVMCURKFFGCSIX-ROUUACIJSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212224 446084004 /nfs/dbraw/zinc/08/40/04/446084004.db2.gz VVMCURKFFGCSIX-ROUUACIJSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212224 446084008 /nfs/dbraw/zinc/08/40/08/446084008.db2.gz VVMCURKFFGCSIX-ROUUACIJSA-N 2 2 326.444 1.591 20 30 EDEDLP C#CCC(CC#C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000376845088 446751059 /nfs/dbraw/zinc/75/10/59/446751059.db2.gz NTMOYEOSHNXRRN-UHFFFAOYSA-N 2 2 329.488 1.716 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576301376 448022378 /nfs/dbraw/zinc/02/23/78/448022378.db2.gz UJZBBZBTFVNMHK-YXJHDRRASA-N 2 2 330.432 1.978 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576301376 448022381 /nfs/dbraw/zinc/02/23/81/448022381.db2.gz UJZBBZBTFVNMHK-YXJHDRRASA-N 2 2 330.432 1.978 20 30 EDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000570836938 448073255 /nfs/dbraw/zinc/07/32/55/448073255.db2.gz MHAXNQODUUIWEZ-LSDHHAIUSA-N 2 2 336.461 1.189 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781376 448119943 /nfs/dbraw/zinc/11/99/43/448119943.db2.gz MFTVXMIHFHDSHI-OIISXLGYSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781376 448119949 /nfs/dbraw/zinc/11/99/49/448119949.db2.gz MFTVXMIHFHDSHI-OIISXLGYSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781376 448119954 /nfs/dbraw/zinc/11/99/54/448119954.db2.gz MFTVXMIHFHDSHI-OIISXLGYSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781376 448119958 /nfs/dbraw/zinc/11/99/58/448119958.db2.gz MFTVXMIHFHDSHI-OIISXLGYSA-N 2 2 325.412 1.014 20 30 EDEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512276 448562082 /nfs/dbraw/zinc/56/20/82/448562082.db2.gz KHZFNRUHNQHNBC-HXUWFJFHSA-N 2 2 337.423 1.314 20 30 EDEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512276 448562089 /nfs/dbraw/zinc/56/20/89/448562089.db2.gz KHZFNRUHNQHNBC-HXUWFJFHSA-N 2 2 337.423 1.314 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512276 448562097 /nfs/dbraw/zinc/56/20/97/448562097.db2.gz KHZFNRUHNQHNBC-HXUWFJFHSA-N 2 2 337.423 1.314 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512276 448562099 /nfs/dbraw/zinc/56/20/99/448562099.db2.gz KHZFNRUHNQHNBC-HXUWFJFHSA-N 2 2 337.423 1.314 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578999576 448691474 /nfs/dbraw/zinc/69/14/74/448691474.db2.gz MJDQYCKOFDSMJA-JKSUJKDBSA-N 2 2 326.400 1.293 20 30 EDEDLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931439 448751370 /nfs/dbraw/zinc/75/13/70/448751370.db2.gz VBVZQQHSFXGRJI-GOEBONIOSA-N 2 2 326.400 1.122 20 30 EDEDLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931439 448751374 /nfs/dbraw/zinc/75/13/74/448751374.db2.gz VBVZQQHSFXGRJI-GOEBONIOSA-N 2 2 326.400 1.122 20 30 EDEDLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931440 448751527 /nfs/dbraw/zinc/75/15/27/448751527.db2.gz VBVZQQHSFXGRJI-HOCLYGCPSA-N 2 2 326.400 1.122 20 30 EDEDLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931440 448751532 /nfs/dbraw/zinc/75/15/32/448751532.db2.gz VBVZQQHSFXGRJI-HOCLYGCPSA-N 2 2 326.400 1.122 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590241920 449119077 /nfs/dbraw/zinc/11/90/77/449119077.db2.gz GESFRESOXGLNQM-KRWDZBQOSA-N 2 2 341.459 1.502 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590241920 449119078 /nfs/dbraw/zinc/11/90/78/449119078.db2.gz GESFRESOXGLNQM-KRWDZBQOSA-N 2 2 341.459 1.502 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596514079 449535720 /nfs/dbraw/zinc/53/57/20/449535720.db2.gz HJNVOHHGOFIGIF-UHFFFAOYSA-N 2 2 343.475 1.426 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559782 450051325 /nfs/dbraw/zinc/05/13/25/450051325.db2.gz OGFAUXMNQRMIIP-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559782 450051329 /nfs/dbraw/zinc/05/13/29/450051329.db2.gz OGFAUXMNQRMIIP-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638099447 451265239 /nfs/dbraw/zinc/26/52/39/451265239.db2.gz INJWUJLBVYUOTC-SFHVURJKSA-N 2 2 330.476 1.212 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000662676340 453394993 /nfs/dbraw/zinc/39/49/93/453394993.db2.gz VJTRXFDVXNGQSA-KXBFYZLASA-N 2 2 344.459 1.621 20 30 EDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nn1 ZINC000657398380 453781154 /nfs/dbraw/zinc/78/11/54/453781154.db2.gz ADPGWQJEGQZCCA-ZWKOTPCHSA-N 2 2 333.480 1.712 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000294050664 486247014 /nfs/dbraw/zinc/24/70/14/486247014.db2.gz UEEURUVFLSRWRN-UHFFFAOYSA-N 2 2 344.484 1.947 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000294050664 486247019 /nfs/dbraw/zinc/24/70/19/486247019.db2.gz UEEURUVFLSRWRN-UHFFFAOYSA-N 2 2 344.484 1.947 20 30 EDEDLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000129416095 534004489 /nfs/dbraw/zinc/00/44/89/534004489.db2.gz FCIWFVIMCCNJFD-BBRMVZONSA-N 2 2 330.457 1.701 20 30 EDEDLP CCc1noc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000742357626 579449763 /nfs/dbraw/zinc/44/97/63/579449763.db2.gz YXFCMRHDBDODCX-UHFFFAOYSA-N 2 2 345.403 1.301 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000761036896 580045231 /nfs/dbraw/zinc/04/52/31/580045231.db2.gz HJOUJIYCXMOYJH-IBGZPJMESA-N 2 2 346.519 1.101 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000761036896 580045232 /nfs/dbraw/zinc/04/52/32/580045232.db2.gz HJOUJIYCXMOYJH-IBGZPJMESA-N 2 2 346.519 1.101 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761036896 580045233 /nfs/dbraw/zinc/04/52/33/580045233.db2.gz HJOUJIYCXMOYJH-IBGZPJMESA-N 2 2 346.519 1.101 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761036896 580045234 /nfs/dbraw/zinc/04/52/34/580045234.db2.gz HJOUJIYCXMOYJH-IBGZPJMESA-N 2 2 346.519 1.101 20 30 EDEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758234430 579977926 /nfs/dbraw/zinc/97/79/26/579977926.db2.gz ZQLXMFMDHHBJGV-INIZCTEOSA-N 2 2 332.448 1.419 20 30 EDEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758234430 579977927 /nfs/dbraw/zinc/97/79/27/579977927.db2.gz ZQLXMFMDHHBJGV-INIZCTEOSA-N 2 2 332.448 1.419 20 30 EDEDLP N#CCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000782089989 580566102 /nfs/dbraw/zinc/56/61/02/580566102.db2.gz YZVYIQKYVNBIRJ-UHFFFAOYSA-N 2 2 330.432 1.549 20 30 EDEDLP O=C(NCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1N=CC=CC1=O ZINC000784545540 580623443 /nfs/dbraw/zinc/62/34/43/580623443.db2.gz PDMBPZOMECFXIO-NXVVXOECSA-N 2 2 343.412 1.550 20 30 EDEDLP C#Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000896005024 591321596 /nfs/dbraw/zinc/32/15/96/591321596.db2.gz WLOYUECQUJEXPQ-UHFFFAOYSA-N 2 2 325.456 1.956 20 30 EDEDLP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000896034454 591325974 /nfs/dbraw/zinc/32/59/74/591325974.db2.gz CKNDDGAGKSEMRW-MRXNPFEDSA-N 2 2 341.496 1.892 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896520672 591490754 /nfs/dbraw/zinc/49/07/54/591490754.db2.gz LPKFYQOQLKEXMR-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896520672 591490758 /nfs/dbraw/zinc/49/07/58/591490758.db2.gz LPKFYQOQLKEXMR-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896520672 591490761 /nfs/dbraw/zinc/49/07/61/591490761.db2.gz LPKFYQOQLKEXMR-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896520672 591490764 /nfs/dbraw/zinc/49/07/64/591490764.db2.gz LPKFYQOQLKEXMR-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896989283 591705997 /nfs/dbraw/zinc/70/59/97/591705997.db2.gz QICAWAVHADSCKV-IBGZPJMESA-N 2 2 325.456 1.908 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896989283 591705998 /nfs/dbraw/zinc/70/59/98/591705998.db2.gz QICAWAVHADSCKV-IBGZPJMESA-N 2 2 325.456 1.908 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000905461252 592541553 /nfs/dbraw/zinc/54/15/53/592541553.db2.gz PLMQTWNDYSFWCR-PMACEKPBSA-N 2 2 327.472 1.093 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905461252 592541557 /nfs/dbraw/zinc/54/15/57/592541557.db2.gz PLMQTWNDYSFWCR-PMACEKPBSA-N 2 2 327.472 1.093 20 30 EDEDLP C#Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000907278264 592570254 /nfs/dbraw/zinc/57/02/54/592570254.db2.gz CJSGQTJJOGZYRS-HNNXBMFYSA-N 2 2 337.489 1.218 20 30 EDEDLP C#Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000907278264 592570258 /nfs/dbraw/zinc/57/02/58/592570258.db2.gz CJSGQTJJOGZYRS-HNNXBMFYSA-N 2 2 337.489 1.218 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905623382 592588738 /nfs/dbraw/zinc/58/87/38/592588738.db2.gz IUFYKDONQMIZMG-ZWKOTPCHSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905623382 592588740 /nfs/dbraw/zinc/58/87/40/592588740.db2.gz IUFYKDONQMIZMG-ZWKOTPCHSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905623381 592588793 /nfs/dbraw/zinc/58/87/93/592588793.db2.gz IUFYKDONQMIZMG-ROUUACIJSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905623381 592588794 /nfs/dbraw/zinc/58/87/94/592588794.db2.gz IUFYKDONQMIZMG-ROUUACIJSA-N 2 2 345.443 1.141 20 30 EDEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820463493 593820253 /nfs/dbraw/zinc/82/02/53/593820253.db2.gz FSUPBSSFDQQVDY-KRWDZBQOSA-N 2 2 334.439 1.683 20 30 EDEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000820463493 593820254 /nfs/dbraw/zinc/82/02/54/593820254.db2.gz FSUPBSSFDQQVDY-KRWDZBQOSA-N 2 2 334.439 1.683 20 30 EDEDLP C#C[C@H](CCC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820665840 593857672 /nfs/dbraw/zinc/85/76/72/593857672.db2.gz CNERQHIHHFKCNB-QGZVFWFLSA-N 2 2 334.508 1.990 20 30 EDEDLP C#C[C@H](CCC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000820665840 593857673 /nfs/dbraw/zinc/85/76/73/593857673.db2.gz CNERQHIHHFKCNB-QGZVFWFLSA-N 2 2 334.508 1.990 20 30 EDEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)n2)C1 ZINC000841017216 594839764 /nfs/dbraw/zinc/83/97/64/594839764.db2.gz TYMPVQRMDCXJFZ-YRGRVCCFSA-N 2 2 348.476 1.608 20 30 EDEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)n2)C1 ZINC000841017216 594839766 /nfs/dbraw/zinc/83/97/66/594839766.db2.gz TYMPVQRMDCXJFZ-YRGRVCCFSA-N 2 2 348.476 1.608 20 30 EDEDLP C#C[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000847024524 595351915 /nfs/dbraw/zinc/35/19/15/595351915.db2.gz RBHHAFKKSNMSDZ-GOSISDBHSA-N 2 2 347.503 1.483 20 30 EDEDLP C=CCc1cc(OC)cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844715220 595382093 /nfs/dbraw/zinc/38/20/93/595382093.db2.gz WOMDNGTUJFKNEB-UHFFFAOYSA-N 2 2 347.459 1.335 20 30 EDEDLP C=CCc1cc(OC)cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844715220 595382095 /nfs/dbraw/zinc/38/20/95/595382095.db2.gz WOMDNGTUJFKNEB-UHFFFAOYSA-N 2 2 347.459 1.335 20 30 EDEDLP CCc1nocc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000848508704 595399546 /nfs/dbraw/zinc/39/95/46/595399546.db2.gz QBRDVNLUSAJWPB-UHFFFAOYSA-N 2 2 344.415 1.906 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000852864620 595584868 /nfs/dbraw/zinc/58/48/68/595584868.db2.gz BVVLJSHFWAOXBR-UHFFFAOYSA-N 2 2 327.428 1.039 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000872280060 596865761 /nfs/dbraw/zinc/86/57/61/596865761.db2.gz IVJLQJTVPHRWAD-GOSISDBHSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000872280060 596865763 /nfs/dbraw/zinc/86/57/63/596865763.db2.gz IVJLQJTVPHRWAD-GOSISDBHSA-N 2 2 333.476 1.187 20 30 EDEDLP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876708819 597297179 /nfs/dbraw/zinc/29/71/79/597297179.db2.gz BMOVFJZHPHOGAR-SFHVURJKSA-N 2 2 326.444 1.545 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993625132 696289583 /nfs/dbraw/zinc/28/95/83/696289583.db2.gz SFFRDKAEVLGTTI-JKSUJKDBSA-N 2 2 328.460 1.754 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993625132 696289585 /nfs/dbraw/zinc/28/95/85/696289585.db2.gz SFFRDKAEVLGTTI-JKSUJKDBSA-N 2 2 328.460 1.754 20 30 EDEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268659 700799120 /nfs/dbraw/zinc/79/91/20/700799120.db2.gz COEFMFNUEXVNBI-CABCVRRESA-N 2 2 329.872 1.382 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948268659 700799121 /nfs/dbraw/zinc/79/91/21/700799121.db2.gz COEFMFNUEXVNBI-CABCVRRESA-N 2 2 329.872 1.382 20 30 EDEDLP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948268659 700799122 /nfs/dbraw/zinc/79/91/22/700799122.db2.gz COEFMFNUEXVNBI-CABCVRRESA-N 2 2 329.872 1.382 20 30 EDEDLP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948268659 700799124 /nfs/dbraw/zinc/79/91/24/700799124.db2.gz COEFMFNUEXVNBI-CABCVRRESA-N 2 2 329.872 1.382 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806324 701196182 /nfs/dbraw/zinc/19/61/82/701196182.db2.gz CORARGJWUYJLJW-QAPCUYQASA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806324 701196183 /nfs/dbraw/zinc/19/61/83/701196183.db2.gz CORARGJWUYJLJW-QAPCUYQASA-N 2 2 337.427 1.782 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001032182338 702195943 /nfs/dbraw/zinc/19/59/43/702195943.db2.gz JSLMTHHPYYFLRH-INIZCTEOSA-N 2 2 330.407 1.197 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001032182338 702195950 /nfs/dbraw/zinc/19/59/50/702195950.db2.gz JSLMTHHPYYFLRH-INIZCTEOSA-N 2 2 330.407 1.197 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996102502 702520527 /nfs/dbraw/zinc/52/05/27/702520527.db2.gz UVSCERVVZUJNFN-IRXDYDNUSA-N 2 2 337.508 1.890 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996102502 702520531 /nfs/dbraw/zinc/52/05/31/702520531.db2.gz UVSCERVVZUJNFN-IRXDYDNUSA-N 2 2 337.508 1.890 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000996858112 703142463 /nfs/dbraw/zinc/14/24/63/703142463.db2.gz OAVIZEMTZUAXKY-INIZCTEOSA-N 2 2 343.899 1.820 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996858112 703142464 /nfs/dbraw/zinc/14/24/64/703142464.db2.gz OAVIZEMTZUAXKY-INIZCTEOSA-N 2 2 343.899 1.820 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)CC[N@@H+]1C ZINC001004442458 704424584 /nfs/dbraw/zinc/42/45/84/704424584.db2.gz MIHGXNOJMZAXTB-KSZLIROESA-N 2 2 332.492 1.943 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)CC[N@H+]1C ZINC001004442458 704424585 /nfs/dbraw/zinc/42/45/85/704424585.db2.gz MIHGXNOJMZAXTB-KSZLIROESA-N 2 2 332.492 1.943 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC[NH+]1C ZINC001004442458 704424586 /nfs/dbraw/zinc/42/45/86/704424586.db2.gz MIHGXNOJMZAXTB-KSZLIROESA-N 2 2 332.492 1.943 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC[NH+]1C ZINC001004442458 704424587 /nfs/dbraw/zinc/42/45/87/704424587.db2.gz MIHGXNOJMZAXTB-KSZLIROESA-N 2 2 332.492 1.943 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998303610 705706428 /nfs/dbraw/zinc/70/64/28/705706428.db2.gz MDEXBSGBPMRDAM-RYUDHWBXSA-N 2 2 342.365 1.690 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998321896 705742869 /nfs/dbraw/zinc/74/28/69/705742869.db2.gz QYPLUNJNOYRWCT-STQMWFEESA-N 2 2 330.354 1.828 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999392729 706905699 /nfs/dbraw/zinc/90/56/99/706905699.db2.gz UDFRBEAYJGJXSC-RDJZCZTQSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999392729 706905701 /nfs/dbraw/zinc/90/57/01/706905701.db2.gz UDFRBEAYJGJXSC-RDJZCZTQSA-N 2 2 346.500 1.630 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033658114 708426508 /nfs/dbraw/zinc/42/65/08/708426508.db2.gz PFARTTCAGSAJFH-IBGZPJMESA-N 2 2 325.456 1.667 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033658114 708426510 /nfs/dbraw/zinc/42/65/10/708426510.db2.gz PFARTTCAGSAJFH-IBGZPJMESA-N 2 2 325.456 1.667 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033688849 708518418 /nfs/dbraw/zinc/51/84/18/708518418.db2.gz UIZLORDHLJPIEP-KRWDZBQOSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033688849 708518421 /nfs/dbraw/zinc/51/84/21/708518421.db2.gz UIZLORDHLJPIEP-KRWDZBQOSA-N 2 2 344.459 1.361 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473662 710078058 /nfs/dbraw/zinc/07/80/58/710078058.db2.gz FEKWVLZOGNPGIR-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473662 710078060 /nfs/dbraw/zinc/07/80/60/710078060.db2.gz FEKWVLZOGNPGIR-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004141224 711540572 /nfs/dbraw/zinc/54/05/72/711540572.db2.gz DCKOUXHFMPEYCU-LBPRGKRZSA-N 2 2 330.270 1.427 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004141224 711540573 /nfs/dbraw/zinc/54/05/73/711540573.db2.gz DCKOUXHFMPEYCU-LBPRGKRZSA-N 2 2 330.270 1.427 20 30 EDEDLP NC(=[NH+]OCC(=O)N1CCCC1)c1ccccc1C[NH+]1CCCCC1 ZINC000102653988 237043056 /nfs/dbraw/zinc/04/30/56/237043056.db2.gz BVEZVFIFZNJYLB-UHFFFAOYSA-N 2 2 344.459 1.932 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173642310 237263877 /nfs/dbraw/zinc/26/38/77/237263877.db2.gz MYWOHNWTBLJICZ-HNNXBMFYSA-N 2 2 336.480 1.418 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000245999258 139091911 /nfs/dbraw/zinc/09/19/11/139091911.db2.gz JPALDOUQDASGCJ-DNVCBOLYSA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000245999258 139091912 /nfs/dbraw/zinc/09/19/12/139091912.db2.gz JPALDOUQDASGCJ-DNVCBOLYSA-N 2 2 329.444 1.777 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246414895 249308607 /nfs/dbraw/zinc/30/86/07/249308607.db2.gz BUSIIFAFCFFTHK-RYRKJORJSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246414895 249308610 /nfs/dbraw/zinc/30/86/10/249308610.db2.gz BUSIIFAFCFFTHK-RYRKJORJSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246414895 249308614 /nfs/dbraw/zinc/30/86/14/249308614.db2.gz BUSIIFAFCFFTHK-RYRKJORJSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246414895 249308616 /nfs/dbraw/zinc/30/86/16/249308616.db2.gz BUSIIFAFCFFTHK-RYRKJORJSA-N 2 2 332.492 1.943 20 30 EDEDLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424155631 252147302 /nfs/dbraw/zinc/14/73/02/252147302.db2.gz NFKJMTGLAWLORC-INIZCTEOSA-N 2 2 330.432 1.361 20 30 EDEDLP C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493046760 255189732 /nfs/dbraw/zinc/18/97/32/255189732.db2.gz KNFMRWXQIKHUST-IQIBNGDESA-N 2 2 345.443 1.375 20 30 EDEDLP C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493046760 255189733 /nfs/dbraw/zinc/18/97/33/255189733.db2.gz KNFMRWXQIKHUST-IQIBNGDESA-N 2 2 345.443 1.375 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000367528004 154162182 /nfs/dbraw/zinc/16/21/82/154162182.db2.gz VABYCAUCDIETJO-GOEBONIOSA-N 2 2 325.420 1.045 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000367528004 154162183 /nfs/dbraw/zinc/16/21/83/154162183.db2.gz VABYCAUCDIETJO-GOEBONIOSA-N 2 2 325.420 1.045 20 30 EDEDLP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301773319 267337476 /nfs/dbraw/zinc/33/74/76/267337476.db2.gz KBRYPGBKJQLOKP-UHFFFAOYSA-N 2 2 327.432 1.315 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000418471115 268219940 /nfs/dbraw/zinc/21/99/40/268219940.db2.gz QFNNINWLSXDPMF-MSOLQXFVSA-N 2 2 341.459 1.513 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000173578657 441797049 /nfs/dbraw/zinc/79/70/49/441797049.db2.gz RTVLUSJDSNQPDL-SFHVURJKSA-N 2 2 337.508 1.890 20 30 EDEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000121396508 442211710 /nfs/dbraw/zinc/21/17/10/442211710.db2.gz RDEPEAUHHKUKHO-UHFFFAOYSA-N 2 2 329.444 1.384 20 30 EDEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000121396508 442211714 /nfs/dbraw/zinc/21/17/14/442211714.db2.gz RDEPEAUHHKUKHO-UHFFFAOYSA-N 2 2 329.444 1.384 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912446 442287398 /nfs/dbraw/zinc/28/73/98/442287398.db2.gz RBPNWIYRMGOZEJ-OAHLLOKOSA-N 3 2 327.436 1.156 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912446 442287399 /nfs/dbraw/zinc/28/73/99/442287399.db2.gz RBPNWIYRMGOZEJ-OAHLLOKOSA-N 3 2 327.436 1.156 20 30 EDEDLP Cc1cnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000266286756 443085997 /nfs/dbraw/zinc/08/59/97/443085997.db2.gz KSHWYAPPWZEHAO-UHFFFAOYSA-N 2 2 344.415 1.777 20 30 EDEDLP C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970685 443177755 /nfs/dbraw/zinc/17/77/55/443177755.db2.gz MSBWQQMBBQCKCH-LSDHHAIUSA-N 2 2 348.495 1.504 20 30 EDEDLP CCOC(=O)[C@H]1CCCN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000262019052 443180776 /nfs/dbraw/zinc/18/07/76/443180776.db2.gz YKIFIONINOPAAI-AWEZNQCLSA-N 2 2 347.463 1.570 20 30 EDEDLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(C#N)n(C)c2)nc[nH+]1 ZINC000190971664 443217252 /nfs/dbraw/zinc/21/72/52/443217252.db2.gz RPLRVTIAGKYGHW-CQSZACIVSA-N 2 2 325.420 1.487 20 30 EDEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000278725112 443415595 /nfs/dbraw/zinc/41/55/95/443415595.db2.gz VKUJQAIBSDLSRW-HNNXBMFYSA-N 2 2 330.432 1.994 20 30 EDEDLP CNC(=O)c1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000276182782 443663612 /nfs/dbraw/zinc/66/36/12/443663612.db2.gz VRXHXLGLCGNMQY-UHFFFAOYSA-N 2 2 340.427 1.945 20 30 EDEDLP C#CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000287521489 443746659 /nfs/dbraw/zinc/74/66/59/443746659.db2.gz BFDAKLJCNZLQGD-UHFFFAOYSA-N 2 2 342.487 1.857 20 30 EDEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000305719566 444275249 /nfs/dbraw/zinc/27/52/49/444275249.db2.gz JBBHAFWSJDKISH-ZWKOTPCHSA-N 2 2 342.443 1.006 20 30 EDEDLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331029022 444365689 /nfs/dbraw/zinc/36/56/89/444365689.db2.gz RHUAABHBSKOZTF-LSDHHAIUSA-N 2 2 336.484 1.353 20 30 EDEDLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331029022 444365692 /nfs/dbraw/zinc/36/56/92/444365692.db2.gz RHUAABHBSKOZTF-LSDHHAIUSA-N 2 2 336.484 1.353 20 30 EDEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000329035807 444453749 /nfs/dbraw/zinc/45/37/49/444453749.db2.gz RCRCVODBATZLDA-IXDOHACOSA-N 2 2 345.491 1.746 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329238906 444509406 /nfs/dbraw/zinc/50/94/06/444509406.db2.gz PYRSGMJTBJODAF-NVXWUHKLSA-N 2 2 346.431 1.502 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329238906 444509409 /nfs/dbraw/zinc/50/94/09/444509409.db2.gz PYRSGMJTBJODAF-NVXWUHKLSA-N 2 2 346.431 1.502 20 30 EDEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139311 444858773 /nfs/dbraw/zinc/85/87/73/444858773.db2.gz WEKXXDHKFWLOET-KRWDZBQOSA-N 2 2 337.512 1.143 20 30 EDEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139311 444858777 /nfs/dbraw/zinc/85/87/77/444858777.db2.gz WEKXXDHKFWLOET-KRWDZBQOSA-N 2 2 337.512 1.143 20 30 EDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330353840 444949239 /nfs/dbraw/zinc/94/92/39/444949239.db2.gz OXMNIDCLKBOIEB-BFYDXBDKSA-N 2 2 349.479 1.876 20 30 EDEDLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330353840 444949241 /nfs/dbraw/zinc/94/92/41/444949241.db2.gz OXMNIDCLKBOIEB-BFYDXBDKSA-N 2 2 349.479 1.876 20 30 EDEDLP CC#CC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000339751648 445166798 /nfs/dbraw/zinc/16/67/98/445166798.db2.gz AEAMRGLTAMPRMV-UHFFFAOYSA-N 2 2 329.444 1.090 20 30 EDEDLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1 ZINC000376483739 446525692 /nfs/dbraw/zinc/52/56/92/446525692.db2.gz JOQWABZJGOSFJZ-DNVCBOLYSA-N 2 2 341.459 1.932 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375514588 446864915 /nfs/dbraw/zinc/86/49/15/446864915.db2.gz YMSMFQWGYTVYDI-HEHGZKQESA-N 2 2 334.489 1.389 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375514588 446864921 /nfs/dbraw/zinc/86/49/21/446864921.db2.gz YMSMFQWGYTVYDI-HEHGZKQESA-N 2 2 334.489 1.389 20 30 EDEDLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N ZINC000443957007 447070352 /nfs/dbraw/zinc/07/03/52/447070352.db2.gz IFZMZUIBKPWVIE-SFHVURJKSA-N 2 2 328.460 1.899 20 30 EDEDLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N ZINC000443957007 447070357 /nfs/dbraw/zinc/07/03/57/447070357.db2.gz IFZMZUIBKPWVIE-SFHVURJKSA-N 2 2 328.460 1.899 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000530914266 447984130 /nfs/dbraw/zinc/98/41/30/447984130.db2.gz ZPHPHGQNTLHAIL-UHFFFAOYSA-N 2 2 328.460 1.585 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000530914266 447984132 /nfs/dbraw/zinc/98/41/32/447984132.db2.gz ZPHPHGQNTLHAIL-UHFFFAOYSA-N 2 2 328.460 1.585 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000491251984 447972130 /nfs/dbraw/zinc/97/21/30/447972130.db2.gz DOLUKVVUKJCUDX-MRXNPFEDSA-N 2 2 343.475 1.511 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000491251984 447972133 /nfs/dbraw/zinc/97/21/33/447972133.db2.gz DOLUKVVUKJCUDX-MRXNPFEDSA-N 2 2 343.475 1.511 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000582772180 448334206 /nfs/dbraw/zinc/33/42/06/448334206.db2.gz NESPTDBKGVURCQ-HUUCEWRRSA-N 2 2 331.464 1.746 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000582772180 448334212 /nfs/dbraw/zinc/33/42/12/448334212.db2.gz NESPTDBKGVURCQ-HUUCEWRRSA-N 2 2 331.464 1.746 20 30 EDEDLP N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)C2 ZINC000517937215 448632008 /nfs/dbraw/zinc/63/20/08/448632008.db2.gz PGAOSBVGGUAKIM-GJZGRUSLSA-N 2 2 337.431 1.625 20 30 EDEDLP N#Cc1cnn2c1NC[C@@H](C[N@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)C2 ZINC000517937215 448632013 /nfs/dbraw/zinc/63/20/13/448632013.db2.gz PGAOSBVGGUAKIM-GJZGRUSLSA-N 2 2 337.431 1.625 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000592956532 449076399 /nfs/dbraw/zinc/07/63/99/449076399.db2.gz JXWOGWUEHHXBGP-OAHLLOKOSA-N 2 2 343.431 1.034 20 30 EDEDLP CC(C)c1[nH+]ccn1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000602084605 449331847 /nfs/dbraw/zinc/33/18/47/449331847.db2.gz AUKMPFKUOLSEQG-UHFFFAOYSA-N 2 2 333.436 1.081 20 30 EDEDLP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)N1CC#N ZINC000602852058 449859411 /nfs/dbraw/zinc/85/94/11/449859411.db2.gz ZTSVRDZDKMMDIP-QZTJIDSGSA-N 2 2 342.487 1.937 20 30 EDEDLP C[C@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)N1CC#N ZINC000602851155 449859667 /nfs/dbraw/zinc/85/96/67/449859667.db2.gz TYTHBUBBRTXUOA-ROUUACIJSA-N 2 2 342.487 1.937 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905811 449911662 /nfs/dbraw/zinc/91/16/62/449911662.db2.gz DLIJDIBUDPAWOP-KRWDZBQOSA-N 2 2 332.448 1.072 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905811 449911668 /nfs/dbraw/zinc/91/16/68/449911668.db2.gz DLIJDIBUDPAWOP-KRWDZBQOSA-N 2 2 332.448 1.072 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638524587 451557005 /nfs/dbraw/zinc/55/70/05/451557005.db2.gz PBJBHNVGIMNPNZ-UHFFFAOYSA-N 2 2 329.510 1.477 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000106349086 526580477 /nfs/dbraw/zinc/58/04/77/526580477.db2.gz VAMCSMTTWCLAQW-UHFFFAOYSA-N 2 2 332.404 1.185 20 30 EDEDLP C=CCCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000123698518 527354135 /nfs/dbraw/zinc/35/41/35/527354135.db2.gz HWAKESQTOOIUID-UHFFFAOYSA-N 2 2 338.496 1.437 20 30 EDEDLP CCN(CC)C(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264069267 535387952 /nfs/dbraw/zinc/38/79/52/535387952.db2.gz CTBNHECRGJWVGA-UHFFFAOYSA-N 2 2 333.480 1.474 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732564009 578718384 /nfs/dbraw/zinc/71/83/84/578718384.db2.gz NZXAUPCZHAWVGX-QGZVFWFLSA-N 2 2 326.444 1.303 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732564009 578718386 /nfs/dbraw/zinc/71/83/86/578718386.db2.gz NZXAUPCZHAWVGX-QGZVFWFLSA-N 2 2 326.444 1.303 20 30 EDEDLP CC#CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735447781 578885288 /nfs/dbraw/zinc/88/52/88/578885288.db2.gz GLBQMABLYHUFLX-UHFFFAOYSA-N 2 2 333.399 1.560 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000754217920 579898694 /nfs/dbraw/zinc/89/86/94/579898694.db2.gz GTNUJLNUTPSJSB-IBGZPJMESA-N 2 2 345.462 1.760 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000780385599 580520875 /nfs/dbraw/zinc/52/08/75/580520875.db2.gz SDCLJMNMOJDGHH-KBPBESRZSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000780385599 580520876 /nfs/dbraw/zinc/52/08/76/580520876.db2.gz SDCLJMNMOJDGHH-KBPBESRZSA-N 2 2 331.382 1.427 20 30 EDEDLP C[C@H]1C[C@@H](CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029498 580592000 /nfs/dbraw/zinc/59/20/00/580592000.db2.gz NXWCURALMGTATD-RDJZCZTQSA-N 2 2 347.459 1.971 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000895811476 591278668 /nfs/dbraw/zinc/27/86/68/591278668.db2.gz HWISVDRVIGDHOK-UHFFFAOYSA-N 2 2 329.448 1.337 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000895811476 591278670 /nfs/dbraw/zinc/27/86/70/591278670.db2.gz HWISVDRVIGDHOK-UHFFFAOYSA-N 2 2 329.448 1.337 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823557 592334019 /nfs/dbraw/zinc/33/40/19/592334019.db2.gz HPVTXNOEGHQBIQ-CEXWTWQISA-N 2 2 327.428 1.700 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823557 592334024 /nfs/dbraw/zinc/33/40/24/592334024.db2.gz HPVTXNOEGHQBIQ-CEXWTWQISA-N 2 2 327.428 1.700 20 30 EDEDLP CCCN1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901416794 592357188 /nfs/dbraw/zinc/35/71/88/592357188.db2.gz GQVRVYMWRVWSKQ-GEMWTQJRSA-N 2 2 325.416 1.915 20 30 EDEDLP COC(=O)C1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901500296 592376502 /nfs/dbraw/zinc/37/65/02/592376502.db2.gz QEPGLZOAPJXQCM-VOFKWTQNSA-N 2 2 340.383 1.773 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201253 /nfs/dbraw/zinc/20/12/53/593201253.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201254 /nfs/dbraw/zinc/20/12/54/593201254.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201255 /nfs/dbraw/zinc/20/12/55/593201255.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201256 /nfs/dbraw/zinc/20/12/56/593201256.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112920291 595563342 /nfs/dbraw/zinc/56/33/42/595563342.db2.gz IYZXSXUKSGVMPN-LJQANCHMSA-N 2 2 325.456 1.676 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112920291 595563344 /nfs/dbraw/zinc/56/33/44/595563344.db2.gz IYZXSXUKSGVMPN-LJQANCHMSA-N 2 2 325.456 1.676 20 30 EDEDLP Cc1nonc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657270 595848472 /nfs/dbraw/zinc/84/84/72/595848472.db2.gz BYRUUVAYWGYXSV-UHFFFAOYSA-N 2 2 331.376 1.047 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)CC1 ZINC000852332795 596128820 /nfs/dbraw/zinc/12/88/20/596128820.db2.gz VJFUBLHIKFAZRI-LJQANCHMSA-N 2 2 341.459 1.103 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)CC1 ZINC000852332795 596128821 /nfs/dbraw/zinc/12/88/21/596128821.db2.gz VJFUBLHIKFAZRI-LJQANCHMSA-N 2 2 341.459 1.103 20 30 EDEDLP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000865532329 596602394 /nfs/dbraw/zinc/60/23/94/596602394.db2.gz YVNUSVBNRSEVKT-UXHICEINSA-N 2 2 344.455 1.668 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993625099 696289574 /nfs/dbraw/zinc/28/95/74/696289574.db2.gz SFFRDKAEVLGTTI-CVEARBPZSA-N 2 2 328.460 1.754 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993625099 696289576 /nfs/dbraw/zinc/28/95/76/696289576.db2.gz SFFRDKAEVLGTTI-CVEARBPZSA-N 2 2 328.460 1.754 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177715 697873058 /nfs/dbraw/zinc/87/30/58/697873058.db2.gz PCPJDRQRFUBWQL-KDOFPFPSSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177715 697873059 /nfs/dbraw/zinc/87/30/59/697873059.db2.gz PCPJDRQRFUBWQL-KDOFPFPSSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000939209248 699355241 /nfs/dbraw/zinc/35/52/41/699355241.db2.gz FUHPAIDLPWDKRF-SJKOYZFVSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939216030 699388069 /nfs/dbraw/zinc/38/80/69/699388069.db2.gz RJQGBEGZAOQCIY-SJCJKPOMSA-N 2 2 341.390 1.600 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105773 700942885 /nfs/dbraw/zinc/94/28/85/700942885.db2.gz HZPMSEFADHMORT-YOEHRIQHSA-N 2 2 337.427 1.899 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850641 700943834 /nfs/dbraw/zinc/94/38/34/700943834.db2.gz JXTCVQKQMQHKKU-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850641 700943836 /nfs/dbraw/zinc/94/38/36/700943836.db2.gz JXTCVQKQMQHKKU-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000996456981 702801540 /nfs/dbraw/zinc/80/15/40/702801540.db2.gz MMDYKCYMIZVWPA-INIZCTEOSA-N 2 2 337.427 1.851 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996716218 703014966 /nfs/dbraw/zinc/01/49/66/703014966.db2.gz PWKOLBNNKMIJET-QGZVFWFLSA-N 2 2 337.427 1.782 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405065 703427729 /nfs/dbraw/zinc/42/77/29/703427729.db2.gz AZVNSAAZHRFEHM-NEWSRXKRSA-N 2 2 329.488 1.949 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405065 703427731 /nfs/dbraw/zinc/42/77/31/703427731.db2.gz AZVNSAAZHRFEHM-NEWSRXKRSA-N 2 2 329.488 1.949 20 30 EDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405065 703427732 /nfs/dbraw/zinc/42/77/32/703427732.db2.gz AZVNSAAZHRFEHM-NEWSRXKRSA-N 2 2 329.488 1.949 20 30 EDEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405065 703427734 /nfs/dbraw/zinc/42/77/34/703427734.db2.gz AZVNSAAZHRFEHM-NEWSRXKRSA-N 2 2 329.488 1.949 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997175440 703462651 /nfs/dbraw/zinc/46/26/51/703462651.db2.gz FIJKNYFPYAVBPZ-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998299944 705704537 /nfs/dbraw/zinc/70/45/37/705704537.db2.gz DJPIRACWYILPNR-KBPBESRZSA-N 2 2 344.381 1.908 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998299948 705704608 /nfs/dbraw/zinc/70/46/08/705704608.db2.gz DJPIRACWYILPNR-UONOGXRCSA-N 2 2 344.381 1.908 20 30 EDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579043 708257095 /nfs/dbraw/zinc/25/70/95/708257095.db2.gz DIDYRFGDNKWNKM-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579043 708257098 /nfs/dbraw/zinc/25/70/98/708257098.db2.gz DIDYRFGDNKWNKM-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033657899 708429572 /nfs/dbraw/zinc/42/95/72/708429572.db2.gz OESCVOZRJZHNJN-KRWDZBQOSA-N 2 2 344.434 1.826 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033657899 708429573 /nfs/dbraw/zinc/42/95/73/708429573.db2.gz OESCVOZRJZHNJN-KRWDZBQOSA-N 2 2 344.434 1.826 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034492803 710114468 /nfs/dbraw/zinc/11/44/68/710114468.db2.gz QJEJBUDQSWRHQU-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034492803 710114470 /nfs/dbraw/zinc/11/44/70/710114470.db2.gz QJEJBUDQSWRHQU-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333602240 539636637 /nfs/dbraw/zinc/63/66/37/539636637.db2.gz MSRLRPHABKVMTP-HZPDHXFCSA-N 2 2 332.473 1.674 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(CC#N)cc3)C2)CC1 ZINC000378268103 447410497 /nfs/dbraw/zinc/41/04/97/447410497.db2.gz DBBJKCNSBWROBF-KRWDZBQOSA-N 2 2 326.444 1.651 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(CC#N)cc3)C2)CC1 ZINC000378268103 447410501 /nfs/dbraw/zinc/41/05/01/447410501.db2.gz DBBJKCNSBWROBF-KRWDZBQOSA-N 2 2 326.444 1.651 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139379688 441814722 /nfs/dbraw/zinc/81/47/22/441814722.db2.gz ZXBYKLAMYTZNTJ-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139379688 441814730 /nfs/dbraw/zinc/81/47/30/441814730.db2.gz ZXBYKLAMYTZNTJ-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000125255136 442002495 /nfs/dbraw/zinc/00/24/95/442002495.db2.gz YRLMNLDIWIIFEN-LJQANCHMSA-N 2 2 347.422 1.881 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135043580 442549659 /nfs/dbraw/zinc/54/96/59/442549659.db2.gz UJRFWFOSFSRVFK-UHFFFAOYSA-N 2 2 344.459 1.553 20 30 EDEDLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000321942076 444338023 /nfs/dbraw/zinc/33/80/23/444338023.db2.gz MLFCSZWROKBNJV-UHFFFAOYSA-N 2 2 335.473 1.796 20 30 EDEDLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000329487437 444600749 /nfs/dbraw/zinc/60/07/49/444600749.db2.gz XUBIGSSFKFFIAK-QZTJIDSGSA-N 2 2 347.459 1.430 20 30 EDEDLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000329487437 444600754 /nfs/dbraw/zinc/60/07/54/444600754.db2.gz XUBIGSSFKFFIAK-QZTJIDSGSA-N 2 2 347.459 1.430 20 30 EDEDLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000329487437 444600757 /nfs/dbraw/zinc/60/07/57/444600757.db2.gz XUBIGSSFKFFIAK-QZTJIDSGSA-N 2 2 347.459 1.430 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCn4ccnc4C3)CC2)CC1 ZINC000329852570 444740361 /nfs/dbraw/zinc/74/03/61/444740361.db2.gz RNFGSVPBHYUPHC-UHFFFAOYSA-N 2 2 346.479 1.171 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000329852570 444740362 /nfs/dbraw/zinc/74/03/62/444740362.db2.gz RNFGSVPBHYUPHC-UHFFFAOYSA-N 3 2 346.479 1.171 20 30 EDEDLP CCN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329983939 444799092 /nfs/dbraw/zinc/79/90/92/444799092.db2.gz BQZMCHWNHYMGFH-MRXNPFEDSA-N 2 2 346.479 1.629 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330238868 444901151 /nfs/dbraw/zinc/90/11/51/444901151.db2.gz DOLRGVPRDIEQDY-CYBMUJFWSA-N 2 2 337.468 1.316 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330238868 444901156 /nfs/dbraw/zinc/90/11/56/444901156.db2.gz DOLRGVPRDIEQDY-CYBMUJFWSA-N 2 2 337.468 1.316 20 30 EDEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330272398 444917245 /nfs/dbraw/zinc/91/72/45/444917245.db2.gz XPAYWSQZFKDVFR-INIZCTEOSA-N 2 2 344.463 1.182 20 30 EDEDLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330272398 444917247 /nfs/dbraw/zinc/91/72/47/444917247.db2.gz XPAYWSQZFKDVFR-INIZCTEOSA-N 2 2 344.463 1.182 20 30 EDEDLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC1CC[NH+](C)CC1 ZINC000330635538 445072477 /nfs/dbraw/zinc/07/24/77/445072477.db2.gz MRZROHQFGVNCHP-UHFFFAOYSA-N 2 2 333.358 1.885 20 30 EDEDLP C=C(C)C[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363490161 445827249 /nfs/dbraw/zinc/82/72/49/445827249.db2.gz NRMAEUFZVWODTP-IBGZPJMESA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[N@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363490161 445827252 /nfs/dbraw/zinc/82/72/52/445827252.db2.gz NRMAEUFZVWODTP-IBGZPJMESA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[NH+](CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363490161 445827254 /nfs/dbraw/zinc/82/72/54/445827254.db2.gz NRMAEUFZVWODTP-IBGZPJMESA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363490161 445827258 /nfs/dbraw/zinc/82/72/58/445827258.db2.gz NRMAEUFZVWODTP-IBGZPJMESA-N 2 2 345.487 1.902 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364778977 445953595 /nfs/dbraw/zinc/95/35/95/445953595.db2.gz QHZGEYIXESZMLX-OAHLLOKOSA-N 2 2 328.460 1.806 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364778977 445953601 /nfs/dbraw/zinc/95/36/01/445953601.db2.gz QHZGEYIXESZMLX-OAHLLOKOSA-N 2 2 328.460 1.806 20 30 EDEDLP C=C(C)C[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000351093682 445988329 /nfs/dbraw/zinc/98/83/29/445988329.db2.gz BRLVUWCYTFQGDO-UHFFFAOYSA-N 2 2 331.460 1.643 20 30 EDEDLP C=C(C)C[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000351093682 445988332 /nfs/dbraw/zinc/98/83/32/445988332.db2.gz BRLVUWCYTFQGDO-UHFFFAOYSA-N 2 2 331.460 1.643 20 30 EDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000583559798 326095485 /nfs/dbraw/zinc/09/54/85/326095485.db2.gz KNRKBDWZOVVXJR-QGZVFWFLSA-N 2 2 349.500 1.899 20 30 EDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000583559798 326095488 /nfs/dbraw/zinc/09/54/88/326095488.db2.gz KNRKBDWZOVVXJR-QGZVFWFLSA-N 2 2 349.500 1.899 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000365618276 446275936 /nfs/dbraw/zinc/27/59/36/446275936.db2.gz ABWLALSJZNOCOM-KRWDZBQOSA-N 2 2 337.427 1.788 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000365618276 446275938 /nfs/dbraw/zinc/27/59/38/446275938.db2.gz ABWLALSJZNOCOM-KRWDZBQOSA-N 2 2 337.427 1.788 20 30 EDEDLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1 ZINC000376483738 446525980 /nfs/dbraw/zinc/52/59/80/446525980.db2.gz JOQWABZJGOSFJZ-BEFAXECRSA-N 2 2 341.459 1.932 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000371514438 446907699 /nfs/dbraw/zinc/90/76/99/446907699.db2.gz MWLGSHURKGFDNY-QFBILLFUSA-N 2 2 328.460 1.615 20 30 EDEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000569713015 447875395 /nfs/dbraw/zinc/87/53/95/447875395.db2.gz NZHNSGFWRWODFZ-LJQANCHMSA-N 2 2 325.460 1.967 20 30 EDEDLP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000569713015 447875403 /nfs/dbraw/zinc/87/54/03/447875403.db2.gz NZHNSGFWRWODFZ-LJQANCHMSA-N 2 2 325.460 1.967 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000491765169 448112249 /nfs/dbraw/zinc/11/22/49/448112249.db2.gz DSFWTKWIIIAQQR-MRXNPFEDSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000491765169 448112256 /nfs/dbraw/zinc/11/22/56/448112256.db2.gz DSFWTKWIIIAQQR-MRXNPFEDSA-N 2 2 329.419 1.392 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNCC[NH+]1CCC2(CCCCC2)CC1 ZINC000574313152 448843267 /nfs/dbraw/zinc/84/32/67/448843267.db2.gz ZCZFSCJRTOLKER-GOSISDBHSA-N 2 2 336.524 1.829 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNCC[NH+]1CCC2(CCCCC2)CC1 ZINC000574313152 448843274 /nfs/dbraw/zinc/84/32/74/448843274.db2.gz ZCZFSCJRTOLKER-GOSISDBHSA-N 2 2 336.524 1.829 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2n1CC#N ZINC000597989344 449173122 /nfs/dbraw/zinc/17/31/22/449173122.db2.gz DYLZJHVAKSAMFJ-UHFFFAOYSA-N 2 2 341.459 1.778 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2n1CC#N ZINC000597989344 449173125 /nfs/dbraw/zinc/17/31/25/449173125.db2.gz DYLZJHVAKSAMFJ-UHFFFAOYSA-N 2 2 341.459 1.778 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905892 449244870 /nfs/dbraw/zinc/24/48/70/449244870.db2.gz XDKRGHRTPAUZBZ-RYRKJORJSA-N 2 2 338.496 1.472 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905892 449244874 /nfs/dbraw/zinc/24/48/74/449244874.db2.gz XDKRGHRTPAUZBZ-RYRKJORJSA-N 2 2 338.496 1.472 20 30 EDEDLP N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000593979119 449311475 /nfs/dbraw/zinc/31/14/75/449311475.db2.gz GVDMMJBZNZZQSQ-MRXNPFEDSA-N 2 2 336.399 1.209 20 30 EDEDLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000611387170 449278027 /nfs/dbraw/zinc/27/80/27/449278027.db2.gz GAKOSGJZSSMPOE-HNNXBMFYSA-N 2 2 344.459 1.436 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000594446940 449524015 /nfs/dbraw/zinc/52/40/15/449524015.db2.gz ZQDAUQUAPIAKGX-GOSISDBHSA-N 2 2 344.459 1.621 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000602556520 449671816 /nfs/dbraw/zinc/67/18/16/449671816.db2.gz RKVQDQNTZRXGAJ-YLJYHZDGSA-N 2 2 336.439 1.926 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000602556520 449671823 /nfs/dbraw/zinc/67/18/23/449671823.db2.gz RKVQDQNTZRXGAJ-YLJYHZDGSA-N 2 2 336.439 1.926 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609672727 450082996 /nfs/dbraw/zinc/08/29/96/450082996.db2.gz OBFUTFVJCYDXBO-ZIFCJYIRSA-N 2 2 349.523 1.141 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672727 450083001 /nfs/dbraw/zinc/08/30/01/450083001.db2.gz OBFUTFVJCYDXBO-ZIFCJYIRSA-N 2 2 349.523 1.141 20 30 EDEDLP C=CC[C@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[NH2+]1 ZINC000662670524 453385708 /nfs/dbraw/zinc/38/57/08/453385708.db2.gz GILMVHQOWSEWPH-GOSISDBHSA-N 2 2 330.432 1.233 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329741880 485553377 /nfs/dbraw/zinc/55/33/77/485553377.db2.gz WFFFRQUXNZFRBT-HUUCEWRRSA-N 2 2 331.464 1.845 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000329741880 485553385 /nfs/dbraw/zinc/55/33/85/485553385.db2.gz WFFFRQUXNZFRBT-HUUCEWRRSA-N 2 2 331.464 1.845 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000751500216 579810480 /nfs/dbraw/zinc/81/04/80/579810480.db2.gz VFUQRGBGWDYIMF-HKUYNNGSSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000751500216 579810482 /nfs/dbraw/zinc/81/04/82/579810482.db2.gz VFUQRGBGWDYIMF-HKUYNNGSSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112818 /nfs/dbraw/zinc/11/28/18/580112818.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112819 /nfs/dbraw/zinc/11/28/19/580112819.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112820 /nfs/dbraw/zinc/11/28/20/580112820.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112821 /nfs/dbraw/zinc/11/28/21/580112821.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 2 2 347.409 1.924 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000764440666 580119904 /nfs/dbraw/zinc/11/99/04/580119904.db2.gz AFHNSUPWDWITRE-UHFFFAOYSA-N 2 2 349.479 1.915 20 30 EDEDLP COC[C@H](C)NC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771556291 580288864 /nfs/dbraw/zinc/28/88/64/580288864.db2.gz YSZNSYQXVPNUOB-AWEZNQCLSA-N 2 2 349.504 1.271 20 30 EDEDLP COCCCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771556329 580288884 /nfs/dbraw/zinc/28/88/84/580288884.db2.gz ZZBNEFGZBLWVOF-UHFFFAOYSA-N 2 2 349.504 1.273 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(CC)cc2)CC1 ZINC000775464375 580391299 /nfs/dbraw/zinc/39/12/99/580391299.db2.gz JPYCLNNDLXTGSZ-UHFFFAOYSA-N 2 2 327.472 1.851 20 30 EDEDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793502043 580846240 /nfs/dbraw/zinc/84/62/40/580846240.db2.gz CIODFUAHRMPDLI-UHFFFAOYSA-N 2 2 325.416 1.775 20 30 EDEDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793502043 580846241 /nfs/dbraw/zinc/84/62/41/580846241.db2.gz CIODFUAHRMPDLI-UHFFFAOYSA-N 2 2 325.416 1.775 20 30 EDEDLP CCC[N@@H+]1CCC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000906471417 592830032 /nfs/dbraw/zinc/83/00/32/592830032.db2.gz JEASJNFPIOEYCM-KRWDZBQOSA-N 2 2 336.480 1.183 20 30 EDEDLP CCC[N@H+]1CCC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000906471417 592830034 /nfs/dbraw/zinc/83/00/34/592830034.db2.gz JEASJNFPIOEYCM-KRWDZBQOSA-N 2 2 336.480 1.183 20 30 EDEDLP C=CCN1CCN(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000840035962 593401517 /nfs/dbraw/zinc/40/15/17/593401517.db2.gz BYVGSQGEXSWTAY-UHFFFAOYSA-N 2 2 349.523 1.358 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(OCC#N)c1 ZINC000820005724 593782833 /nfs/dbraw/zinc/78/28/33/593782833.db2.gz VUVNYXQRKBSGKG-UHFFFAOYSA-N 2 2 333.436 1.594 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(OCC#N)c1 ZINC000820005724 593782834 /nfs/dbraw/zinc/78/28/34/593782834.db2.gz VUVNYXQRKBSGKG-UHFFFAOYSA-N 2 2 333.436 1.594 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCc3ccccc3CC2)CC1 ZINC000831920865 594711560 /nfs/dbraw/zinc/71/15/60/594711560.db2.gz XJOOSKYZUMHRMY-UHFFFAOYSA-N 2 2 325.456 1.255 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCc3ccccc3CC2)CC1 ZINC000831920865 594711561 /nfs/dbraw/zinc/71/15/61/594711561.db2.gz XJOOSKYZUMHRMY-UHFFFAOYSA-N 2 2 325.456 1.255 20 30 EDEDLP COc1ccc(O)c(/C=[NH+]/CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840711769 594812126 /nfs/dbraw/zinc/81/21/26/594812126.db2.gz SJPJNCDNAANDDO-XSFVSMFZSA-N 2 2 347.459 1.616 20 30 EDEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000841016343 594839723 /nfs/dbraw/zinc/83/97/23/594839723.db2.gz HXJYEQZNDZLWFD-AAEUAGOBSA-N 2 2 334.449 1.362 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000841163276 594861402 /nfs/dbraw/zinc/86/14/02/594861402.db2.gz TWOGCWFXPCDQDW-RHSMWYFYSA-N 2 2 348.410 1.835 20 30 EDEDLP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000847021884 595352055 /nfs/dbraw/zinc/35/20/55/595352055.db2.gz COBHPUHQNYFMJJ-IBGZPJMESA-N 2 2 339.483 1.984 20 30 EDEDLP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000847021884 595352057 /nfs/dbraw/zinc/35/20/57/595352057.db2.gz COBHPUHQNYFMJJ-IBGZPJMESA-N 2 2 339.483 1.984 20 30 EDEDLP C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858224431 595735806 /nfs/dbraw/zinc/73/58/06/595735806.db2.gz FYWUOYGXLPPGKL-SFHVURJKSA-N 2 2 329.444 1.518 20 30 EDEDLP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858224431 595735808 /nfs/dbraw/zinc/73/58/08/595735808.db2.gz FYWUOYGXLPPGKL-SFHVURJKSA-N 2 2 329.444 1.518 20 30 EDEDLP N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cn1 ZINC000862423002 596326640 /nfs/dbraw/zinc/32/66/40/596326640.db2.gz MYNQDHJGNURCON-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000874263449 596990519 /nfs/dbraw/zinc/99/05/19/596990519.db2.gz FMURUKXXQZGGJV-ZDUSSCGKSA-N 2 2 328.338 1.544 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993817023 696389069 /nfs/dbraw/zinc/38/90/69/696389069.db2.gz BQRSJILDRQJBAO-RDJZCZTQSA-N 2 2 344.459 1.876 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993817023 696389072 /nfs/dbraw/zinc/38/90/72/696389072.db2.gz BQRSJILDRQJBAO-RDJZCZTQSA-N 2 2 344.459 1.876 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943255847 698020826 /nfs/dbraw/zinc/02/08/26/698020826.db2.gz PSMFEHDAMNMEAS-SJORKVTESA-N 2 2 335.492 1.644 20 30 EDEDLP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943255847 698020827 /nfs/dbraw/zinc/02/08/27/698020827.db2.gz PSMFEHDAMNMEAS-SJORKVTESA-N 2 2 335.492 1.644 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000939623078 699760626 /nfs/dbraw/zinc/76/06/26/699760626.db2.gz QKKWLIFXGYZMKY-ZBEGNZNMSA-N 2 2 343.456 1.831 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851106 700952173 /nfs/dbraw/zinc/95/21/73/700952173.db2.gz RMSZOJNDODTWLL-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851106 700952175 /nfs/dbraw/zinc/95/21/75/700952175.db2.gz RMSZOJNDODTWLL-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806325 701196215 /nfs/dbraw/zinc/19/62/15/701196215.db2.gz CORARGJWUYJLJW-YJBOKZPZSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806325 701196216 /nfs/dbraw/zinc/19/62/16/701196216.db2.gz CORARGJWUYJLJW-YJBOKZPZSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031977564 702024846 /nfs/dbraw/zinc/02/48/46/702024846.db2.gz CWTUPUYVBMZCCG-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031977564 702024852 /nfs/dbraw/zinc/02/48/52/702024852.db2.gz CWTUPUYVBMZCCG-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996356297 702733790 /nfs/dbraw/zinc/73/37/90/702733790.db2.gz RNVLBLSVIQKRFV-KRWDZBQOSA-N 2 2 337.427 1.851 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032522532 703969837 /nfs/dbraw/zinc/96/98/37/703969837.db2.gz LCBRPCBLVPEUBL-ROUUACIJSA-N 2 2 335.411 1.549 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032522532 703969840 /nfs/dbraw/zinc/96/98/40/703969840.db2.gz LCBRPCBLVPEUBL-ROUUACIJSA-N 2 2 335.411 1.549 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085588 704149734 /nfs/dbraw/zinc/14/97/34/704149734.db2.gz VFFUJZLADAINQH-FGTMMUONSA-N 2 2 340.471 1.710 20 30 EDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997696343 704577354 /nfs/dbraw/zinc/57/73/54/704577354.db2.gz JESMRVYNMIYNHB-QFBILLFUSA-N 2 2 349.519 1.890 20 30 EDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997696343 704577356 /nfs/dbraw/zinc/57/73/56/704577356.db2.gz JESMRVYNMIYNHB-QFBILLFUSA-N 2 2 349.519 1.890 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694147 707147844 /nfs/dbraw/zinc/14/78/44/707147844.db2.gz NNCCAGGVJWXVQX-CALCHBBNSA-N 2 2 328.460 1.546 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694147 707147846 /nfs/dbraw/zinc/14/78/46/707147846.db2.gz NNCCAGGVJWXVQX-CALCHBBNSA-N 2 2 328.460 1.546 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358852 707684082 /nfs/dbraw/zinc/68/40/82/707684082.db2.gz QRJOSJIPMSXLSS-HUUCEWRRSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358852 707684085 /nfs/dbraw/zinc/68/40/85/707684085.db2.gz QRJOSJIPMSXLSS-HUUCEWRRSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358852 707684087 /nfs/dbraw/zinc/68/40/87/707684087.db2.gz QRJOSJIPMSXLSS-HUUCEWRRSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358852 707684090 /nfs/dbraw/zinc/68/40/90/707684090.db2.gz QRJOSJIPMSXLSS-HUUCEWRRSA-N 2 2 329.872 1.381 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034249474 709611233 /nfs/dbraw/zinc/61/12/33/709611233.db2.gz JZHUJDRCRUJQHO-MOPGFXCFSA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034249474 709611234 /nfs/dbraw/zinc/61/12/34/709611234.db2.gz JZHUJDRCRUJQHO-MOPGFXCFSA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034249474 709611237 /nfs/dbraw/zinc/61/12/37/709611237.db2.gz JZHUJDRCRUJQHO-MOPGFXCFSA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034249474 709611240 /nfs/dbraw/zinc/61/12/40/709611240.db2.gz JZHUJDRCRUJQHO-MOPGFXCFSA-N 2 2 347.503 1.481 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003168654 710080840 /nfs/dbraw/zinc/08/08/40/710080840.db2.gz SBJSBUARFPXMQM-AWEZNQCLSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003168654 710080845 /nfs/dbraw/zinc/08/08/45/710080845.db2.gz SBJSBUARFPXMQM-AWEZNQCLSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003625653 710454703 /nfs/dbraw/zinc/45/47/03/710454703.db2.gz IKJSSNQKRDYEQT-GFCCVEGCSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003625653 710454705 /nfs/dbraw/zinc/45/47/05/710454705.db2.gz IKJSSNQKRDYEQT-GFCCVEGCSA-N 2 2 344.297 1.817 20 30 EDEDLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145714 252142581 /nfs/dbraw/zinc/14/25/81/252142581.db2.gz OICPYPCNCBWCAV-INIZCTEOSA-N 2 2 325.416 1.911 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1F ZINC000424134613 252136039 /nfs/dbraw/zinc/13/60/39/252136039.db2.gz KXJOPPIMILSHAI-GJZGRUSLSA-N 2 2 329.379 1.786 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000491681719 255140383 /nfs/dbraw/zinc/14/03/83/255140383.db2.gz OBLWNJKRRCOXBD-KSSFIOAISA-N 2 2 347.484 1.117 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000270671450 140145118 /nfs/dbraw/zinc/14/51/18/140145118.db2.gz SGPZTYMXHYWQTM-CQSZACIVSA-N 2 2 325.420 1.454 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000270671450 140145119 /nfs/dbraw/zinc/14/51/19/140145119.db2.gz SGPZTYMXHYWQTM-CQSZACIVSA-N 2 2 325.420 1.454 20 30 EDEDLP N#CCCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158724959 225072263 /nfs/dbraw/zinc/07/22/63/225072263.db2.gz HJPZJBXWCWNFJE-UHFFFAOYSA-N 2 2 330.436 1.129 20 30 EDEDLP CCC[C@@H](O)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419833285 270012176 /nfs/dbraw/zinc/01/21/76/270012176.db2.gz WEKQMMPTDOHNGK-RTBURBONSA-N 2 2 331.460 1.634 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000303976524 268178676 /nfs/dbraw/zinc/17/86/76/268178676.db2.gz CDAIUFSZVBZKHL-QGZVFWFLSA-N 2 2 326.400 1.832 20 30 EDEDLP N#CC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000057873084 441140092 /nfs/dbraw/zinc/14/00/92/441140092.db2.gz UAQTVJRCFCKCOQ-UHFFFAOYSA-N 2 2 342.443 1.693 20 30 EDEDLP CC(C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000063509740 441333595 /nfs/dbraw/zinc/33/35/95/441333595.db2.gz QRQZMSOJDALXLG-UHFFFAOYSA-N 2 2 332.448 1.834 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000081645230 441299543 /nfs/dbraw/zinc/29/95/43/441299543.db2.gz MHZBLVOHNBXZNH-IBGZPJMESA-N 2 2 341.455 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000081645230 441299547 /nfs/dbraw/zinc/29/95/47/441299547.db2.gz MHZBLVOHNBXZNH-IBGZPJMESA-N 2 2 341.455 1.610 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 ZINC000176158223 442183005 /nfs/dbraw/zinc/18/30/05/442183005.db2.gz YLTXRESCHFVXTC-UHFFFAOYSA-N 2 2 325.456 1.713 20 30 EDEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000170910176 442287434 /nfs/dbraw/zinc/28/74/34/442287434.db2.gz CPPNEOXUWZSIGT-INIZCTEOSA-N 2 2 334.464 1.456 20 30 EDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000134295763 442466048 /nfs/dbraw/zinc/46/60/48/442466048.db2.gz UHIRJPFKKFREKD-UHFFFAOYSA-N 3 2 344.507 1.359 20 30 EDEDLP C=C(C)C[NH+]1CCC(NCc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000134295763 442466053 /nfs/dbraw/zinc/46/60/53/442466053.db2.gz UHIRJPFKKFREKD-UHFFFAOYSA-N 2 2 344.507 1.359 20 30 EDEDLP CNC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180266330 442570155 /nfs/dbraw/zinc/57/01/55/442570155.db2.gz POEBCZCGRIEFHB-UHFFFAOYSA-N 2 2 328.460 1.884 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000187622145 442682788 /nfs/dbraw/zinc/68/27/88/442682788.db2.gz SUSUFWQTDZIKCI-IBGZPJMESA-N 2 2 337.508 1.890 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268718131 443087224 /nfs/dbraw/zinc/08/72/24/443087224.db2.gz VECOYPSTMBHMDW-SFHVURJKSA-N 2 2 344.459 1.078 20 30 EDEDLP C[NH+]=C(NCCNC(=O)C(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262015192 443180298 /nfs/dbraw/zinc/18/02/98/443180298.db2.gz XOEOEXRUYNEWHK-CABCVRRESA-N 2 2 334.468 1.114 20 30 EDEDLP C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082286 443237681 /nfs/dbraw/zinc/23/76/81/443237681.db2.gz DMYMABDWQIBRBL-PKOBYXMFSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[N@H+](CCOC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082286 443237685 /nfs/dbraw/zinc/23/76/85/443237685.db2.gz DMYMABDWQIBRBL-PKOBYXMFSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191082286 443237688 /nfs/dbraw/zinc/23/76/88/443237688.db2.gz DMYMABDWQIBRBL-PKOBYXMFSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191082286 443237691 /nfs/dbraw/zinc/23/76/91/443237691.db2.gz DMYMABDWQIBRBL-PKOBYXMFSA-N 2 2 345.487 1.900 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000570037843 321335227 /nfs/dbraw/zinc/33/52/27/321335227.db2.gz ZNYOXTGHJLIYBU-QGZVFWFLSA-N 2 2 336.395 1.778 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)CC1 ZINC000304665715 444251380 /nfs/dbraw/zinc/25/13/80/444251380.db2.gz BAUWSSAWBBCGIW-IBGZPJMESA-N 2 2 343.471 1.128 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@H](O)c2ccc(C)cc2)CC1 ZINC000304665715 444251382 /nfs/dbraw/zinc/25/13/82/444251382.db2.gz BAUWSSAWBBCGIW-IBGZPJMESA-N 2 2 343.471 1.128 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000296956306 444264898 /nfs/dbraw/zinc/26/48/98/444264898.db2.gz QPRBRBAKGZNQDV-QGZVFWFLSA-N 2 2 343.475 1.425 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000296956306 444264900 /nfs/dbraw/zinc/26/49/00/444264900.db2.gz QPRBRBAKGZNQDV-QGZVFWFLSA-N 2 2 343.475 1.425 20 30 EDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328606580 444391787 /nfs/dbraw/zinc/39/17/87/444391787.db2.gz KNHYBXHQGIUGKR-HOTGVXAUSA-N 2 2 347.463 1.329 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@]3(C)CCCOC3)CC2)CC1 ZINC000329154081 444485932 /nfs/dbraw/zinc/48/59/32/444485932.db2.gz UNEXHODPEHCKIT-SFHVURJKSA-N 2 2 338.496 1.618 20 30 EDEDLP CCc1nnc(C2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000330100790 444843895 /nfs/dbraw/zinc/84/38/95/444843895.db2.gz FCKWNAZJJZKMEZ-UHFFFAOYSA-N 2 2 348.495 1.987 20 30 EDEDLP CCc1n[nH]c(C2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)n1 ZINC000330100790 444843896 /nfs/dbraw/zinc/84/38/96/444843896.db2.gz FCKWNAZJJZKMEZ-UHFFFAOYSA-N 2 2 348.495 1.987 20 30 EDEDLP CCc1nc(C2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)n[nH]1 ZINC000330100790 444843899 /nfs/dbraw/zinc/84/38/99/444843899.db2.gz FCKWNAZJJZKMEZ-UHFFFAOYSA-N 2 2 348.495 1.987 20 30 EDEDLP O=C(C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330208682 444889047 /nfs/dbraw/zinc/88/90/47/444889047.db2.gz BFYPGLOBSRIRFN-AWEZNQCLSA-N 2 2 335.370 1.569 20 30 EDEDLP O=C(C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)NC1CC[NH+](C2CC2)CC1 ZINC000330208682 444889051 /nfs/dbraw/zinc/88/90/51/444889051.db2.gz BFYPGLOBSRIRFN-AWEZNQCLSA-N 2 2 335.370 1.569 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000338941222 444947030 /nfs/dbraw/zinc/94/70/30/444947030.db2.gz VYSRWOOCVNTEGA-UHFFFAOYSA-N 2 2 344.440 1.935 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186650 444978004 /nfs/dbraw/zinc/97/80/04/444978004.db2.gz DHOZODQIFSWOCE-RYQLBKOJSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186650 444978007 /nfs/dbraw/zinc/97/80/07/444978007.db2.gz DHOZODQIFSWOCE-RYQLBKOJSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186650 444978010 /nfs/dbraw/zinc/97/80/10/444978010.db2.gz DHOZODQIFSWOCE-RYQLBKOJSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186650 444978014 /nfs/dbraw/zinc/97/80/14/444978014.db2.gz DHOZODQIFSWOCE-RYQLBKOJSA-N 2 2 345.491 1.522 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354913477 445433632 /nfs/dbraw/zinc/43/36/32/445433632.db2.gz CRBPZVFZUSAOHJ-DOTOQJQBSA-N 2 2 344.438 1.675 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354913477 445433638 /nfs/dbraw/zinc/43/36/38/445433638.db2.gz CRBPZVFZUSAOHJ-DOTOQJQBSA-N 2 2 344.438 1.675 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000369601245 446135136 /nfs/dbraw/zinc/13/51/36/446135136.db2.gz YVUSGWKQNFKHOS-HXUWFJFHSA-N 2 2 341.455 1.394 20 30 EDEDLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418437684 446543218 /nfs/dbraw/zinc/54/32/18/446543218.db2.gz IDQREMZISOTYTH-SFHVURJKSA-N 2 2 343.475 1.759 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C(=O)C1 ZINC000371648037 446944001 /nfs/dbraw/zinc/94/40/01/446944001.db2.gz WBIPESFRXIPPDQ-UHFFFAOYSA-N 2 2 329.419 1.416 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C(=O)C1 ZINC000371648037 446944005 /nfs/dbraw/zinc/94/40/05/446944005.db2.gz WBIPESFRXIPPDQ-UHFFFAOYSA-N 2 2 329.419 1.416 20 30 EDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccccc1C#N ZINC000394364407 447535690 /nfs/dbraw/zinc/53/56/90/447535690.db2.gz LBOSXKXRLIRSIX-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccccc1C#N ZINC000394364407 447535699 /nfs/dbraw/zinc/53/56/99/447535699.db2.gz LBOSXKXRLIRSIX-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000394364407 447535704 /nfs/dbraw/zinc/53/57/04/447535704.db2.gz LBOSXKXRLIRSIX-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000394364407 447535708 /nfs/dbraw/zinc/53/57/08/447535708.db2.gz LBOSXKXRLIRSIX-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP C[C@H]1CN(C(=O)NCC(C)(C)CC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459254308 447621856 /nfs/dbraw/zinc/62/18/56/447621856.db2.gz FFGUEFVPUHFUCL-HNNXBMFYSA-N 2 2 335.496 1.736 20 30 EDEDLP C[C@H]1CN(C(=O)NCC(C)(C)CC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459254308 447621863 /nfs/dbraw/zinc/62/18/63/447621863.db2.gz FFGUEFVPUHFUCL-HNNXBMFYSA-N 2 2 335.496 1.736 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451671851 447745462 /nfs/dbraw/zinc/74/54/62/447745462.db2.gz GXMPKYNHKUETJJ-MOPGFXCFSA-N 2 2 343.471 1.654 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000530335570 447862613 /nfs/dbraw/zinc/86/26/13/447862613.db2.gz OSIHSBNQGBEFHB-BFYDXBDKSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000530335570 447862616 /nfs/dbraw/zinc/86/26/16/447862616.db2.gz OSIHSBNQGBEFHB-BFYDXBDKSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000530335570 447862622 /nfs/dbraw/zinc/86/26/22/447862622.db2.gz OSIHSBNQGBEFHB-BFYDXBDKSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000530335570 447862626 /nfs/dbraw/zinc/86/26/26/447862626.db2.gz OSIHSBNQGBEFHB-BFYDXBDKSA-N 2 2 330.476 1.886 20 30 EDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000491460805 448033294 /nfs/dbraw/zinc/03/32/94/448033294.db2.gz BAXGKZKKVHQMBL-JKSUJKDBSA-N 2 2 330.432 1.808 20 30 EDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CC1 ZINC000491460805 448033297 /nfs/dbraw/zinc/03/32/97/448033297.db2.gz BAXGKZKKVHQMBL-JKSUJKDBSA-N 2 2 330.432 1.808 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491746047 448100381 /nfs/dbraw/zinc/10/03/81/448100381.db2.gz LGKRYYSDZFSFOZ-UHFFFAOYSA-N 2 2 343.406 1.766 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491746047 448100383 /nfs/dbraw/zinc/10/03/83/448100383.db2.gz LGKRYYSDZFSFOZ-UHFFFAOYSA-N 2 2 343.406 1.766 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000514796142 448206060 /nfs/dbraw/zinc/20/60/60/448206060.db2.gz LTYLTTGOPZFTIS-KRWDZBQOSA-N 2 2 347.459 1.341 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000514796142 448206063 /nfs/dbraw/zinc/20/60/63/448206063.db2.gz LTYLTTGOPZFTIS-KRWDZBQOSA-N 2 2 347.459 1.341 20 30 EDEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000564854837 448342201 /nfs/dbraw/zinc/34/22/01/448342201.db2.gz PCWYVRIWGJPKST-KRWDZBQOSA-N 2 2 344.459 1.744 20 30 EDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000591742801 448478834 /nfs/dbraw/zinc/47/88/34/448478834.db2.gz HTVJLXLOWSGPCV-ROUUACIJSA-N 2 2 331.460 1.956 20 30 EDEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000567377899 448680931 /nfs/dbraw/zinc/68/09/31/448680931.db2.gz IDFRIFQBTZDVKQ-KRWDZBQOSA-N 2 2 342.443 1.931 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336920 449023313 /nfs/dbraw/zinc/02/33/13/449023313.db2.gz QWQXXPHSBBCRIK-HUUCEWRRSA-N 2 2 329.448 1.769 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336920 449023316 /nfs/dbraw/zinc/02/33/16/449023316.db2.gz QWQXXPHSBBCRIK-HUUCEWRRSA-N 2 2 329.448 1.769 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000569555015 449041383 /nfs/dbraw/zinc/04/13/83/449041383.db2.gz ITEZQMHRDSMLHK-SFHVURJKSA-N 2 2 336.524 1.971 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000569555015 449041384 /nfs/dbraw/zinc/04/13/84/449041384.db2.gz ITEZQMHRDSMLHK-SFHVURJKSA-N 2 2 336.524 1.971 20 30 EDEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600737177 449525850 /nfs/dbraw/zinc/52/58/50/449525850.db2.gz UPGUIJSHTZWEKL-ROUUACIJSA-N 2 2 342.443 1.100 20 30 EDEDLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCSC1 ZINC000600725186 449519482 /nfs/dbraw/zinc/51/94/82/449519482.db2.gz BRQLPXHPTQUCSE-GDBMZVCRSA-N 2 2 327.494 1.085 20 30 EDEDLP CN(c1cc(C#N)nc(C2CC2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601115258 449698575 /nfs/dbraw/zinc/69/85/75/449698575.db2.gz DVGSXWQQRWMNOP-QGZVFWFLSA-N 2 2 340.475 1.830 20 30 EDEDLP CN(c1cc(C#N)nc(C2CC2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601115258 449698577 /nfs/dbraw/zinc/69/85/77/449698577.db2.gz DVGSXWQQRWMNOP-QGZVFWFLSA-N 2 2 340.475 1.830 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602604596 449699014 /nfs/dbraw/zinc/69/90/14/449699014.db2.gz VLZMPMJGNBRJFJ-HNNXBMFYSA-N 2 2 347.488 1.662 20 30 EDEDLP C=CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC000664128986 452809398 /nfs/dbraw/zinc/80/93/98/452809398.db2.gz DMQZUIGFTCLNPD-HOTGVXAUSA-N 2 2 338.496 1.387 20 30 EDEDLP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC000664128986 452809400 /nfs/dbraw/zinc/80/94/00/452809400.db2.gz DMQZUIGFTCLNPD-HOTGVXAUSA-N 2 2 338.496 1.387 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000744418994 579510080 /nfs/dbraw/zinc/51/00/80/579510080.db2.gz DGWZBDVXQWVPRY-UHFFFAOYSA-N 2 2 343.471 1.798 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000748809894 579700700 /nfs/dbraw/zinc/70/07/00/579700700.db2.gz MXMFEEYWMRICHR-HNNXBMFYSA-N 2 2 345.443 1.132 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000748810226 579700856 /nfs/dbraw/zinc/70/08/56/579700856.db2.gz SQJGEIGUHMAIEQ-IBGZPJMESA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000748810226 579700857 /nfs/dbraw/zinc/70/08/57/579700857.db2.gz SQJGEIGUHMAIEQ-IBGZPJMESA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000748817488 579701583 /nfs/dbraw/zinc/70/15/83/579701583.db2.gz NROSKMGIPAECJG-KRWDZBQOSA-N 2 2 329.444 1.974 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000748817488 579701585 /nfs/dbraw/zinc/70/15/85/579701585.db2.gz NROSKMGIPAECJG-KRWDZBQOSA-N 2 2 329.444 1.974 20 30 EDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000763951601 580109094 /nfs/dbraw/zinc/10/90/94/580109094.db2.gz YMXCOQVPSGYHBS-UHFFFAOYSA-N 2 2 325.456 1.737 20 30 EDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000763951601 580109095 /nfs/dbraw/zinc/10/90/95/580109095.db2.gz YMXCOQVPSGYHBS-UHFFFAOYSA-N 2 2 325.456 1.737 20 30 EDEDLP NC(=[NH+]OCc1nncs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902225725 591949183 /nfs/dbraw/zinc/94/91/83/591949183.db2.gz IEYFAFMPKPZKRQ-UHFFFAOYSA-N 2 2 333.417 1.207 20 30 EDEDLP Cn1c[nH+]cc1/C=C1\CN(CC2CC2)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901468020 592371426 /nfs/dbraw/zinc/37/14/26/592371426.db2.gz WGFHZBZWTILNLH-IAGONARPSA-N 2 2 337.427 1.915 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000838283616 593149670 /nfs/dbraw/zinc/14/96/70/593149670.db2.gz ATRPKGFDCYHXHE-INIZCTEOSA-N 2 2 333.407 1.802 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000838283616 593149673 /nfs/dbraw/zinc/14/96/73/593149673.db2.gz ATRPKGFDCYHXHE-INIZCTEOSA-N 2 2 333.407 1.802 20 30 EDEDLP Cc1nsc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C#N ZINC000839104226 593262044 /nfs/dbraw/zinc/26/20/44/593262044.db2.gz UFUJKZSUKPAHPG-UHFFFAOYSA-N 2 2 336.465 1.471 20 30 EDEDLP C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847017521 595351441 /nfs/dbraw/zinc/35/14/41/595351441.db2.gz BZOQOZAJTKQNHT-SJORKVTESA-N 2 2 326.444 1.464 20 30 EDEDLP C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847017521 595351443 /nfs/dbraw/zinc/35/14/43/595351443.db2.gz BZOQOZAJTKQNHT-SJORKVTESA-N 2 2 326.444 1.464 20 30 EDEDLP OC1CCN(c2ccc(C=[NH+]NCCCn3cc[nH+]c3)cc2)CC1 ZINC000853370776 595745092 /nfs/dbraw/zinc/74/50/92/595745092.db2.gz WHPNKCCLLJGAGO-UHFFFAOYSA-N 2 2 327.432 1.858 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2F)C(C)C)CC1 ZINC000852447568 596166559 /nfs/dbraw/zinc/16/65/59/596166559.db2.gz YFQXZZGRDAWDSB-IBGZPJMESA-N 2 2 331.435 1.890 20 30 EDEDLP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000865532328 596602444 /nfs/dbraw/zinc/60/24/44/596602444.db2.gz YVNUSVBNRSEVKT-PMACEKPBSA-N 2 2 344.455 1.668 20 30 EDEDLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000880469195 597940017 /nfs/dbraw/zinc/94/00/17/597940017.db2.gz GZCNRPSAGRZMGI-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCc3ccsc3)C2)CC1 ZINC001031436854 697100127 /nfs/dbraw/zinc/10/01/27/697100127.db2.gz PWWRCPGYVCLCBW-UHFFFAOYSA-N 2 2 345.512 1.826 20 30 EDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC001031783881 699212221 /nfs/dbraw/zinc/21/22/21/699212221.db2.gz IJXAZIUYCJTPQV-GOSISDBHSA-N 2 2 349.438 1.565 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534314 699675234 /nfs/dbraw/zinc/67/52/34/699675234.db2.gz IXTHFQKXPTZVGN-MFKMUULPSA-N 2 2 341.253 1.308 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000939623076 699760232 /nfs/dbraw/zinc/76/02/32/699760232.db2.gz QKKWLIFXGYZMKY-BZNIZROVSA-N 2 2 343.456 1.831 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996092419 702504309 /nfs/dbraw/zinc/50/43/09/702504309.db2.gz PRTRXEBDKOFNFK-SJORKVTESA-N 2 2 335.492 1.500 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996092419 702504314 /nfs/dbraw/zinc/50/43/14/702504314.db2.gz PRTRXEBDKOFNFK-SJORKVTESA-N 2 2 335.492 1.500 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995250322 702963749 /nfs/dbraw/zinc/96/37/49/702963749.db2.gz NVOONMUWKSDUFX-KBPBESRZSA-N 2 2 343.456 1.891 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043883 705235303 /nfs/dbraw/zinc/23/53/03/705235303.db2.gz CKFMSSDKCHCGKZ-OAHLLOKOSA-N 2 2 332.448 1.686 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000998043883 705235306 /nfs/dbraw/zinc/23/53/06/705235306.db2.gz CKFMSSDKCHCGKZ-OAHLLOKOSA-N 2 2 332.448 1.686 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C(F)(F)F ZINC000998277065 705660300 /nfs/dbraw/zinc/66/03/00/705660300.db2.gz NCKWOBOFOASWRD-STQMWFEESA-N 2 2 342.365 1.355 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998307182 705709338 /nfs/dbraw/zinc/70/93/38/705709338.db2.gz WJBPUFBHJJLZNH-KGLIPLIRSA-N 2 2 344.381 1.908 20 30 EDEDLP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000206078 707859640 /nfs/dbraw/zinc/85/96/40/707859640.db2.gz XZCLNZGPHOSRIL-MRXNPFEDSA-N 2 2 340.471 1.830 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033476051 707966265 /nfs/dbraw/zinc/96/62/65/707966265.db2.gz YUGLJSIDWCKCJO-QGZVFWFLSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033476051 707966266 /nfs/dbraw/zinc/96/62/66/707966266.db2.gz YUGLJSIDWCKCJO-QGZVFWFLSA-N 2 2 333.476 1.187 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836390 708864277 /nfs/dbraw/zinc/86/42/77/708864277.db2.gz ARAHKCTVOVUJBW-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033836390 708864281 /nfs/dbraw/zinc/86/42/81/708864281.db2.gz ARAHKCTVOVUJBW-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033836390 708864286 /nfs/dbraw/zinc/86/42/86/708864286.db2.gz ARAHKCTVOVUJBW-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033836390 708864288 /nfs/dbraw/zinc/86/42/88/708864288.db2.gz ARAHKCTVOVUJBW-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217997 709573984 /nfs/dbraw/zinc/57/39/84/709573984.db2.gz WWJKTPKLZZWYBN-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217997 709573986 /nfs/dbraw/zinc/57/39/86/709573986.db2.gz WWJKTPKLZZWYBN-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217997 709573988 /nfs/dbraw/zinc/57/39/88/709573988.db2.gz WWJKTPKLZZWYBN-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217997 709573990 /nfs/dbraw/zinc/57/39/90/709573990.db2.gz WWJKTPKLZZWYBN-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473547 710103176 /nfs/dbraw/zinc/10/31/76/710103176.db2.gz AAFCZPIKOPNVBP-MRXNPFEDSA-N 2 2 337.427 1.875 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473547 710103179 /nfs/dbraw/zinc/10/31/79/710103179.db2.gz AAFCZPIKOPNVBP-MRXNPFEDSA-N 2 2 337.427 1.875 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003313236 710241661 /nfs/dbraw/zinc/24/16/61/710241661.db2.gz YGJSLBLAIFAMIQ-UHFFFAOYSA-N 2 2 343.456 1.906 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000374420644 282215096 /nfs/dbraw/zinc/21/50/96/282215096.db2.gz MCOLWHGTQZAMQP-ZACQAIPSSA-N 2 2 348.491 1.513 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000374420644 282215099 /nfs/dbraw/zinc/21/50/99/282215099.db2.gz MCOLWHGTQZAMQP-ZACQAIPSSA-N 2 2 348.491 1.513 20 30 EDEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000562372035 306296579 /nfs/dbraw/zinc/29/65/79/306296579.db2.gz XSDIESIRGUMZLX-IRXDYDNUSA-N 2 2 327.476 1.944 20 30 EDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342786934 250010061 /nfs/dbraw/zinc/01/00/61/250010061.db2.gz WHZDIPSQWBFDAR-QZTJIDSGSA-N 2 2 326.444 1.613 20 30 EDEDLP C#CCSCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376148892 250285141 /nfs/dbraw/zinc/28/51/41/250285141.db2.gz GYKBMRUZQQDCAY-OAHLLOKOSA-N 2 2 338.521 1.163 20 30 EDEDLP C#CCSCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376148892 250285146 /nfs/dbraw/zinc/28/51/46/250285146.db2.gz GYKBMRUZQQDCAY-OAHLLOKOSA-N 2 2 338.521 1.163 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)CC1 ZINC000490925681 255109598 /nfs/dbraw/zinc/10/95/98/255109598.db2.gz XILKHFCBZHEZCM-CYBMUJFWSA-N 2 2 337.826 1.907 20 30 EDEDLP COCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271841086 140359542 /nfs/dbraw/zinc/35/95/42/140359542.db2.gz GVKFFAVSFWSAJY-HXUWFJFHSA-N 2 2 342.487 1.833 20 30 EDEDLP COCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271841086 140359543 /nfs/dbraw/zinc/35/95/43/140359543.db2.gz GVKFFAVSFWSAJY-HXUWFJFHSA-N 2 2 342.487 1.833 20 30 EDEDLP COCCN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271841086 140359544 /nfs/dbraw/zinc/35/95/44/140359544.db2.gz GVKFFAVSFWSAJY-HXUWFJFHSA-N 2 2 342.487 1.833 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368223 158155914 /nfs/dbraw/zinc/15/59/14/158155914.db2.gz GIVVXELPFTZANP-CQSZACIVSA-N 2 2 327.432 1.194 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368223 158155917 /nfs/dbraw/zinc/15/59/17/158155917.db2.gz GIVVXELPFTZANP-CQSZACIVSA-N 2 2 327.432 1.194 20 30 EDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000433980579 269936735 /nfs/dbraw/zinc/93/67/35/269936735.db2.gz XIKBXSCPKPAOGV-PBHICJAKSA-N 2 2 336.399 1.949 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579115 270016264 /nfs/dbraw/zinc/01/62/64/270016264.db2.gz BUIXONHZTPZMRC-DOTOQJQBSA-N 2 2 335.411 1.887 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579115 270016265 /nfs/dbraw/zinc/01/62/65/270016265.db2.gz BUIXONHZTPZMRC-DOTOQJQBSA-N 2 2 335.411 1.887 20 30 EDEDLP N#Cc1c(F)cccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000428307284 268163363 /nfs/dbraw/zinc/16/33/63/268163363.db2.gz TWJDTTGLVQRPBF-UHFFFAOYSA-N 2 2 333.407 1.356 20 30 EDEDLP C=C(C)C[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000378491564 447435142 /nfs/dbraw/zinc/43/51/42/447435142.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000378491564 447435146 /nfs/dbraw/zinc/43/51/46/447435146.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000378491564 447435150 /nfs/dbraw/zinc/43/51/50/447435150.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000378491564 447435154 /nfs/dbraw/zinc/43/51/54/447435154.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccc(C#N)c1 ZINC000046518106 441113204 /nfs/dbraw/zinc/11/32/04/441113204.db2.gz SWHJGZDPNBCCQC-UHFFFAOYSA-N 2 2 344.459 1.217 20 30 EDEDLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccc(C#N)c1 ZINC000046518106 441113207 /nfs/dbraw/zinc/11/32/07/441113207.db2.gz SWHJGZDPNBCCQC-UHFFFAOYSA-N 2 2 344.459 1.217 20 30 EDEDLP C#CC[NH+](CC#C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000174525435 441934501 /nfs/dbraw/zinc/93/45/01/441934501.db2.gz RCPGLSHNIDFAID-UHFFFAOYSA-N 2 2 337.467 1.644 20 30 EDEDLP NC(=[NH+]OCC(=O)NCC1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000154277270 442329835 /nfs/dbraw/zinc/32/98/35/442329835.db2.gz GDXFXFAZHOXTPM-UHFFFAOYSA-N 2 2 344.459 1.836 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000154029297 442317700 /nfs/dbraw/zinc/31/77/00/442317700.db2.gz IGMUBNLQHKKCRP-SJORKVTESA-N 2 2 333.476 1.043 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000154029297 442317702 /nfs/dbraw/zinc/31/77/02/442317702.db2.gz IGMUBNLQHKKCRP-SJORKVTESA-N 2 2 333.476 1.043 20 30 EDEDLP COCCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887330 442973212 /nfs/dbraw/zinc/97/32/12/442973212.db2.gz KNRTVMYDNNZXJC-ZDUSSCGKSA-N 2 2 332.370 1.859 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000279268713 443546366 /nfs/dbraw/zinc/54/63/66/443546366.db2.gz VBDMEKQTNGDZMG-UHFFFAOYSA-N 2 2 325.416 1.723 20 30 EDEDLP N#Cc1cccc(OCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000575926153 321535258 /nfs/dbraw/zinc/53/52/58/321535258.db2.gz OOPWMIFLVBBAAW-UHFFFAOYSA-N 2 2 329.444 1.764 20 30 EDEDLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329288086 444522064 /nfs/dbraw/zinc/52/20/64/444522064.db2.gz HPRHDOODCIJJHF-HNNXBMFYSA-N 2 2 329.448 1.922 20 30 EDEDLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329288086 444522067 /nfs/dbraw/zinc/52/20/67/444522067.db2.gz HPRHDOODCIJJHF-HNNXBMFYSA-N 2 2 329.448 1.922 20 30 EDEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139312 444858967 /nfs/dbraw/zinc/85/89/67/444858967.db2.gz WEKXXDHKFWLOET-QGZVFWFLSA-N 2 2 337.512 1.143 20 30 EDEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139312 444858972 /nfs/dbraw/zinc/85/89/72/444858972.db2.gz WEKXXDHKFWLOET-QGZVFWFLSA-N 2 2 337.512 1.143 20 30 EDEDLP [O-]C(NCC1([NH+]2CCCC2)CCOCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330199120 444884201 /nfs/dbraw/zinc/88/42/01/444884201.db2.gz UXSBHTJQXJWOBG-HNNXBMFYSA-N 2 2 347.463 1.347 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330314940 444933590 /nfs/dbraw/zinc/93/35/90/444933590.db2.gz YHGCMROBMCMPEH-LBPRGKRZSA-N 2 2 334.424 1.043 20 30 EDEDLP C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354092641 445896648 /nfs/dbraw/zinc/89/66/48/445896648.db2.gz OPHAQESMVBJPES-KRWDZBQOSA-N 2 2 336.480 1.325 20 30 EDEDLP C[N@H+]1CCCC[C@H]1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354092641 445896652 /nfs/dbraw/zinc/89/66/52/445896652.db2.gz OPHAQESMVBJPES-KRWDZBQOSA-N 2 2 336.480 1.325 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000369252012 446023765 /nfs/dbraw/zinc/02/37/65/446023765.db2.gz DUCXJUXZLMJHIZ-MRXNPFEDSA-N 2 2 327.432 1.848 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000369252012 446023771 /nfs/dbraw/zinc/02/37/71/446023771.db2.gz DUCXJUXZLMJHIZ-MRXNPFEDSA-N 2 2 327.432 1.848 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)s1 ZINC000371514658 446907126 /nfs/dbraw/zinc/90/71/26/446907126.db2.gz OVTJPEOHOOYIRW-CABCVRRESA-N 2 2 334.489 1.677 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000530335574 447862293 /nfs/dbraw/zinc/86/22/93/447862293.db2.gz OSIHSBNQGBEFHB-INMHGKMJSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000530335574 447862296 /nfs/dbraw/zinc/86/22/96/447862296.db2.gz OSIHSBNQGBEFHB-INMHGKMJSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000530335574 447862299 /nfs/dbraw/zinc/86/22/99/447862299.db2.gz OSIHSBNQGBEFHB-INMHGKMJSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000530335574 447862302 /nfs/dbraw/zinc/86/23/02/447862302.db2.gz OSIHSBNQGBEFHB-INMHGKMJSA-N 2 2 330.476 1.886 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](C)c2cccc(O)c2)CC1 ZINC000490852852 447900274 /nfs/dbraw/zinc/90/02/74/447900274.db2.gz OHYBWUAVOJUGRH-MRXNPFEDSA-N 2 2 329.444 1.553 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](C)c2cccc(O)c2)CC1 ZINC000490852852 447900279 /nfs/dbraw/zinc/90/02/79/447900279.db2.gz OHYBWUAVOJUGRH-MRXNPFEDSA-N 2 2 329.444 1.553 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490914842 447908125 /nfs/dbraw/zinc/90/81/25/447908125.db2.gz JPCXLTDGMOUITK-CQSZACIVSA-N 2 2 330.388 1.023 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000491743618 448098219 /nfs/dbraw/zinc/09/82/19/448098219.db2.gz MOEOJPBXTWDHHY-HNNXBMFYSA-N 2 2 331.485 1.837 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360420 448344099 /nfs/dbraw/zinc/34/40/99/448344099.db2.gz STZZOHXOGOXGGN-GOSISDBHSA-N 2 2 341.459 1.528 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371989 448523524 /nfs/dbraw/zinc/52/35/24/448523524.db2.gz YSGHTWQYAPZPIP-HNNXBMFYSA-N 2 2 329.448 1.966 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528427571 448524617 /nfs/dbraw/zinc/52/46/17/448524617.db2.gz WATGODXPMVSUKB-INIZCTEOSA-N 2 2 326.400 1.901 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC1 ZINC000596121671 449373167 /nfs/dbraw/zinc/37/31/67/449373167.db2.gz GWMUUVWZYOEUQG-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC1 ZINC000596121671 449373170 /nfs/dbraw/zinc/37/31/70/449373170.db2.gz GWMUUVWZYOEUQG-SNVBAGLBSA-N 2 2 325.869 2.249 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000600739268 449527068 /nfs/dbraw/zinc/52/70/68/449527068.db2.gz AVAUHAFXMKEYPM-MRXNPFEDSA-N 2 2 326.400 1.621 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000600717809 449515839 /nfs/dbraw/zinc/51/58/39/449515839.db2.gz NUDLNRRLOWEZDQ-JFIYKMOQSA-N 2 2 347.459 1.387 20 30 EDEDLP C[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602864291 449872791 /nfs/dbraw/zinc/87/27/91/449872791.db2.gz QWBVZOJNZPSIQB-OAHLLOKOSA-N 2 2 330.432 1.027 20 30 EDEDLP Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C#N ZINC000599318107 449888503 /nfs/dbraw/zinc/88/85/03/449888503.db2.gz GOTHPRXAHXLWMC-GOSISDBHSA-N 2 2 326.444 1.605 20 30 EDEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000599393042 449939360 /nfs/dbraw/zinc/93/93/60/449939360.db2.gz BWKRVFFEGNIKIJ-DOTOQJQBSA-N 2 2 331.416 1.606 20 30 EDEDLP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000599393042 449939365 /nfs/dbraw/zinc/93/93/65/449939365.db2.gz BWKRVFFEGNIKIJ-DOTOQJQBSA-N 2 2 331.416 1.606 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000608860961 449946530 /nfs/dbraw/zinc/94/65/30/449946530.db2.gz BLGUNGZVFDHQCL-UHFFFAOYSA-N 2 2 330.432 1.233 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609672726 450082742 /nfs/dbraw/zinc/08/27/42/450082742.db2.gz OBFUTFVJCYDXBO-ZHALLVOQSA-N 2 2 349.523 1.141 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672726 450082746 /nfs/dbraw/zinc/08/27/46/450082746.db2.gz OBFUTFVJCYDXBO-ZHALLVOQSA-N 2 2 349.523 1.141 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000636575177 451316538 /nfs/dbraw/zinc/31/65/38/451316538.db2.gz WQMBYOZEXIVTRP-RDJZCZTQSA-N 2 2 331.464 1.806 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649626006 452173231 /nfs/dbraw/zinc/17/32/31/452173231.db2.gz VFFCAIKZAXGUPC-INIZCTEOSA-N 2 2 337.508 1.626 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664016354 452717698 /nfs/dbraw/zinc/71/76/98/452717698.db2.gz OBZDNPXWBAZEMP-JKSUJKDBSA-N 2 2 338.496 1.435 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664016354 452717705 /nfs/dbraw/zinc/71/77/05/452717705.db2.gz OBZDNPXWBAZEMP-JKSUJKDBSA-N 2 2 338.496 1.435 20 30 EDEDLP C=CCOCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660575428 453414470 /nfs/dbraw/zinc/41/44/70/453414470.db2.gz TXCHPCOEXYHFAL-UHFFFAOYSA-N 2 2 338.496 1.437 20 30 EDEDLP C=CC[C@@]1(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CCC[NH2+]1 ZINC000662775474 453511460 /nfs/dbraw/zinc/51/14/60/453511460.db2.gz RFWUKPBXFKVTID-KRWDZBQOSA-N 2 2 326.404 1.567 20 30 EDEDLP C#Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1 ZINC000742012525 579433177 /nfs/dbraw/zinc/43/31/77/579433177.db2.gz YQICMYOTGINWBM-UHFFFAOYSA-N 2 2 340.471 1.743 20 30 EDEDLP C=C(Br)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000729601722 578584134 /nfs/dbraw/zinc/58/41/34/578584134.db2.gz UYGCULCSJSKKNJ-UHFFFAOYSA-N 2 2 347.301 1.562 20 30 EDEDLP C=C(Br)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000729601722 578584136 /nfs/dbraw/zinc/58/41/36/578584136.db2.gz UYGCULCSJSKKNJ-UHFFFAOYSA-N 2 2 347.301 1.562 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000731374575 578674133 /nfs/dbraw/zinc/67/41/33/578674133.db2.gz WNDAABWBZAFZFL-SJORKVTESA-N 2 2 341.459 1.276 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000731374575 578674134 /nfs/dbraw/zinc/67/41/34/578674134.db2.gz WNDAABWBZAFZFL-SJORKVTESA-N 2 2 341.459 1.276 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000748817754 579701631 /nfs/dbraw/zinc/70/16/31/579701631.db2.gz QRHHSLXLWZEJSQ-HKUYNNGSSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000748817754 579701632 /nfs/dbraw/zinc/70/16/32/579701632.db2.gz QRHHSLXLWZEJSQ-HKUYNNGSSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000748824627 579702428 /nfs/dbraw/zinc/70/24/28/579702428.db2.gz NCBAESMNQJEKKX-UYAOXDASSA-N 2 2 339.483 1.889 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000748824627 579702429 /nfs/dbraw/zinc/70/24/29/579702429.db2.gz NCBAESMNQJEKKX-UYAOXDASSA-N 2 2 339.483 1.889 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[NH+]2CCC2)CC1=O ZINC000751524183 579811462 /nfs/dbraw/zinc/81/14/62/579811462.db2.gz JSEMACWQMXYTJO-UHFFFAOYSA-N 2 2 325.416 1.352 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCC)Cc2ccccc2O)CC1 ZINC000801596972 581081162 /nfs/dbraw/zinc/08/11/62/581081162.db2.gz VWLMFRCYVZNPDI-UHFFFAOYSA-N 2 2 343.471 1.772 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCC)Cc2ccccc2O)CC1 ZINC000801596972 581081163 /nfs/dbraw/zinc/08/11/63/581081163.db2.gz VWLMFRCYVZNPDI-UHFFFAOYSA-N 2 2 343.471 1.772 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000900880581 592155224 /nfs/dbraw/zinc/15/52/24/592155224.db2.gz PWJISZGBXUZTTN-AWEZNQCLSA-N 2 2 332.452 1.111 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000900880581 592155226 /nfs/dbraw/zinc/15/52/26/592155226.db2.gz PWJISZGBXUZTTN-AWEZNQCLSA-N 2 2 332.452 1.111 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901730369 592446401 /nfs/dbraw/zinc/44/64/01/592446401.db2.gz WBMPBESLIZIJKV-VHSXEESVSA-N 2 2 327.226 1.241 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807740641 593193137 /nfs/dbraw/zinc/19/31/37/593193137.db2.gz VSXVVRMXCQNQEO-NEWSRXKRSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807740641 593193138 /nfs/dbraw/zinc/19/31/38/593193138.db2.gz VSXVVRMXCQNQEO-NEWSRXKRSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000807740641 593193139 /nfs/dbraw/zinc/19/31/39/593193139.db2.gz VSXVVRMXCQNQEO-NEWSRXKRSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000807740641 593193140 /nfs/dbraw/zinc/19/31/40/593193140.db2.gz VSXVVRMXCQNQEO-NEWSRXKRSA-N 2 2 325.456 1.863 20 30 EDEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000841163277 594861236 /nfs/dbraw/zinc/86/12/36/594861236.db2.gz TWOGCWFXPCDQDW-WMLDXEAASA-N 2 2 348.410 1.835 20 30 EDEDLP C[NH+](C)CCN1CC[N@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000844377931 595333825 /nfs/dbraw/zinc/33/38/25/595333825.db2.gz ZGDMJGPSYIUOHQ-UHFFFAOYSA-N 2 2 330.432 1.033 20 30 EDEDLP C[NH+](C)CCN1CC[N@@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000844377931 595333826 /nfs/dbraw/zinc/33/38/26/595333826.db2.gz ZGDMJGPSYIUOHQ-UHFFFAOYSA-N 2 2 330.432 1.033 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000867980097 596643438 /nfs/dbraw/zinc/64/34/38/596643438.db2.gz SMAGTRBIAQWUAP-VQTJNVASSA-N 2 2 346.434 1.918 20 30 EDEDLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997488 596647577 /nfs/dbraw/zinc/64/75/77/596647577.db2.gz FYGLDLSDAVVHNR-ZWKOTPCHSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997488 596647581 /nfs/dbraw/zinc/64/75/81/596647581.db2.gz FYGLDLSDAVVHNR-ZWKOTPCHSA-N 2 2 344.459 1.333 20 30 EDEDLP C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000876442817 597206744 /nfs/dbraw/zinc/20/67/44/597206744.db2.gz VDWYYEHNFBFQGJ-ZHALLVOQSA-N 2 2 346.519 1.988 20 30 EDEDLP C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000876442817 597206746 /nfs/dbraw/zinc/20/67/46/597206746.db2.gz VDWYYEHNFBFQGJ-ZHALLVOQSA-N 2 2 346.519 1.988 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201579 597460736 /nfs/dbraw/zinc/46/07/36/597460736.db2.gz KNUKEWXKAGMINM-UHFFFAOYSA-N 2 2 344.484 1.254 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939856735 699995911 /nfs/dbraw/zinc/99/59/11/699995911.db2.gz PCWFTEDFCWBLGA-WFASDCNBSA-N 2 2 329.429 1.453 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031776055 699150641 /nfs/dbraw/zinc/15/06/41/699150641.db2.gz DVTUJDBPIPZUGK-LJQANCHMSA-N 2 2 325.456 1.570 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031776055 699150643 /nfs/dbraw/zinc/15/06/43/699150643.db2.gz DVTUJDBPIPZUGK-LJQANCHMSA-N 2 2 325.456 1.570 20 30 EDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC000941655656 701606224 /nfs/dbraw/zinc/60/62/24/701606224.db2.gz XWCZYTRCZKFNPL-UHFFFAOYSA-N 2 2 345.491 1.147 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847068 700942103 /nfs/dbraw/zinc/94/21/03/700942103.db2.gz OIQKRMNOWDJOLU-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847068 700942104 /nfs/dbraw/zinc/94/21/04/700942104.db2.gz OIQKRMNOWDJOLU-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851380 700952410 /nfs/dbraw/zinc/95/24/10/700952410.db2.gz WNQYJMBXCMIBAI-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851380 700952412 /nfs/dbraw/zinc/95/24/12/700952412.db2.gz WNQYJMBXCMIBAI-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997637705 703940140 /nfs/dbraw/zinc/94/01/40/703940140.db2.gz DAVYXACFXYSUBA-IJEWVQPXSA-N 2 2 343.899 1.675 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997637705 703940146 /nfs/dbraw/zinc/94/01/46/703940146.db2.gz DAVYXACFXYSUBA-IJEWVQPXSA-N 2 2 343.899 1.675 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095323 704181916 /nfs/dbraw/zinc/18/19/16/704181916.db2.gz WGTJHCUJWFULGG-HZSPNIEDSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095323 704181912 /nfs/dbraw/zinc/18/19/12/704181912.db2.gz WGTJHCUJWFULGG-HZSPNIEDSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095323 704181913 /nfs/dbraw/zinc/18/19/13/704181913.db2.gz WGTJHCUJWFULGG-HZSPNIEDSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095323 704181915 /nfs/dbraw/zinc/18/19/15/704181915.db2.gz WGTJHCUJWFULGG-HZSPNIEDSA-N 2 2 344.297 1.768 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C(F)(F)F ZINC000998279465 705669346 /nfs/dbraw/zinc/66/93/46/705669346.db2.gz WYMMIZFEYCFYBI-QWHCGFSZSA-N 2 2 344.381 1.908 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998303609 705706410 /nfs/dbraw/zinc/70/64/10/705706410.db2.gz MDEXBSGBPMRDAM-NWDGAFQWSA-N 2 2 342.365 1.690 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033657264 708428191 /nfs/dbraw/zinc/42/81/91/708428191.db2.gz IKQNPUXDYJYIDU-KRWDZBQOSA-N 2 2 344.434 1.826 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033658157 708431201 /nfs/dbraw/zinc/43/12/01/708431201.db2.gz QCDLUAZLDUTROR-SFHVURJKSA-N 2 2 326.444 1.687 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033658157 708431204 /nfs/dbraw/zinc/43/12/04/708431204.db2.gz QCDLUAZLDUTROR-SFHVURJKSA-N 2 2 326.444 1.687 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004474442 711850653 /nfs/dbraw/zinc/85/06/53/711850653.db2.gz OJYXXNDQHHDHPU-HKUYNNGSSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004474442 711850655 /nfs/dbraw/zinc/85/06/55/711850655.db2.gz OJYXXNDQHHDHPU-HKUYNNGSSA-N 2 2 340.471 1.782 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644819 712152849 /nfs/dbraw/zinc/15/28/49/712152849.db2.gz JULZJWRMQORMCV-BBWFWOEESA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644819 712152850 /nfs/dbraw/zinc/15/28/50/712152850.db2.gz JULZJWRMQORMCV-BBWFWOEESA-N 2 2 328.460 1.802 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649149 712175203 /nfs/dbraw/zinc/17/52/03/712175203.db2.gz NWLMRTKCFODCMB-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649149 712175205 /nfs/dbraw/zinc/17/52/05/712175205.db2.gz NWLMRTKCFODCMB-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[N@H+](C)C1 ZINC000328952812 539379119 /nfs/dbraw/zinc/37/91/19/539379119.db2.gz NYBIBBDNJAGUQF-ROUUACIJSA-N 2 2 347.459 1.694 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[N@@H+](C)C1 ZINC000328952812 539379121 /nfs/dbraw/zinc/37/91/21/539379121.db2.gz NYBIBBDNJAGUQF-ROUUACIJSA-N 2 2 347.459 1.694 20 30 EDEDLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000046527664 138117109 /nfs/dbraw/zinc/11/71/09/138117109.db2.gz DEOPWNRFNLAAAN-UHFFFAOYSA-N 2 2 344.459 1.217 20 30 EDEDLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000046527664 138117111 /nfs/dbraw/zinc/11/71/11/138117111.db2.gz DEOPWNRFNLAAAN-UHFFFAOYSA-N 2 2 344.459 1.217 20 30 EDEDLP C=CCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377268335 250287470 /nfs/dbraw/zinc/28/74/70/250287470.db2.gz STTUXGLMGKHZQT-UHFFFAOYSA-N 3 2 336.524 1.417 20 30 EDEDLP C=CCNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377268335 250287472 /nfs/dbraw/zinc/28/74/72/250287472.db2.gz STTUXGLMGKHZQT-UHFFFAOYSA-N 3 2 336.524 1.417 20 30 EDEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424173219 252153262 /nfs/dbraw/zinc/15/32/62/252153262.db2.gz NYIHAWXPGPYAKZ-PMPSAXMXSA-N 2 2 336.386 1.847 20 30 EDEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000424173219 252153265 /nfs/dbraw/zinc/15/32/65/252153265.db2.gz NYIHAWXPGPYAKZ-PMPSAXMXSA-N 2 2 336.386 1.847 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424132207 252136340 /nfs/dbraw/zinc/13/63/40/252136340.db2.gz HIIWXYWUXFFLMN-DLBZAZTESA-N 2 2 330.432 1.197 20 30 EDEDLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c(C)[nH+]1 ZINC000301793933 267347271 /nfs/dbraw/zinc/34/72/71/267347271.db2.gz SAUKRCNWASFAKL-KRWDZBQOSA-N 2 2 329.448 1.925 20 30 EDEDLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c(C)[nH+]1 ZINC000301793933 267347272 /nfs/dbraw/zinc/34/72/72/267347272.db2.gz SAUKRCNWASFAKL-KRWDZBQOSA-N 2 2 329.448 1.925 20 30 EDEDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000119329556 441929961 /nfs/dbraw/zinc/92/99/61/441929961.db2.gz AYTFUJKAGAOMSC-QGZVFWFLSA-N 2 2 328.416 1.711 20 30 EDEDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000119329556 441929965 /nfs/dbraw/zinc/92/99/65/441929965.db2.gz AYTFUJKAGAOMSC-QGZVFWFLSA-N 2 2 328.416 1.711 20 30 EDEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000170910341 442287485 /nfs/dbraw/zinc/28/74/85/442287485.db2.gz FVJZZPMRUMGIRA-KRWDZBQOSA-N 2 2 347.507 1.372 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264055250 443247669 /nfs/dbraw/zinc/24/76/69/443247669.db2.gz APBDEAFTGPANNI-GOSISDBHSA-N 3 2 340.475 1.820 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264055250 443247672 /nfs/dbraw/zinc/24/76/72/443247672.db2.gz APBDEAFTGPANNI-GOSISDBHSA-N 3 2 340.475 1.820 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285587573 444038962 /nfs/dbraw/zinc/03/89/62/444038962.db2.gz OTPRXNXSFOVMEA-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285587573 444038967 /nfs/dbraw/zinc/03/89/67/444038967.db2.gz OTPRXNXSFOVMEA-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000577457801 321653114 /nfs/dbraw/zinc/65/31/14/321653114.db2.gz FLDJCAYDGMVBFJ-UHFFFAOYSA-N 2 2 335.371 1.654 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000297222728 444278073 /nfs/dbraw/zinc/27/80/73/444278073.db2.gz FGCKMPWAGULESO-UHFFFAOYSA-N 2 2 349.504 1.234 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000297222728 444278075 /nfs/dbraw/zinc/27/80/75/444278075.db2.gz FGCKMPWAGULESO-UHFFFAOYSA-N 2 2 349.504 1.234 20 30 EDEDLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331029021 444365434 /nfs/dbraw/zinc/36/54/34/444365434.db2.gz RHUAABHBSKOZTF-GJZGRUSLSA-N 2 2 336.484 1.353 20 30 EDEDLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331029021 444365439 /nfs/dbraw/zinc/36/54/39/444365439.db2.gz RHUAABHBSKOZTF-GJZGRUSLSA-N 2 2 336.484 1.353 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329628067 444655699 /nfs/dbraw/zinc/65/56/99/444655699.db2.gz UNRYAOGIJYTTQI-BZUAXINKSA-N 2 2 347.463 1.470 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CCCSCC#N ZINC000348092896 445266005 /nfs/dbraw/zinc/26/60/05/445266005.db2.gz YRBXJRPIJKHYCD-CABCVRRESA-N 2 2 339.484 1.911 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CCCSCC#N ZINC000348092896 445266007 /nfs/dbraw/zinc/26/60/07/445266007.db2.gz YRBXJRPIJKHYCD-CABCVRRESA-N 2 2 339.484 1.911 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000364353446 445915091 /nfs/dbraw/zinc/91/50/91/445915091.db2.gz MYGPZWFRPQKNDI-LTIDMASMSA-N 2 2 336.480 1.226 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000364353446 445915096 /nfs/dbraw/zinc/91/50/96/445915096.db2.gz MYGPZWFRPQKNDI-LTIDMASMSA-N 2 2 336.480 1.226 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384900 446560328 /nfs/dbraw/zinc/56/03/28/446560328.db2.gz HFBNFEOYZGKCHT-CABCVRRESA-N 2 2 337.489 1.701 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384900 446560332 /nfs/dbraw/zinc/56/03/32/446560332.db2.gz HFBNFEOYZGKCHT-CABCVRRESA-N 2 2 337.489 1.701 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983474 447190504 /nfs/dbraw/zinc/19/05/04/447190504.db2.gz DCYOIMZKUTYRFL-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983474 447190508 /nfs/dbraw/zinc/19/05/08/447190508.db2.gz DCYOIMZKUTYRFL-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375983474 447190516 /nfs/dbraw/zinc/19/05/16/447190516.db2.gz DCYOIMZKUTYRFL-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375983474 447190519 /nfs/dbraw/zinc/19/05/19/447190519.db2.gz DCYOIMZKUTYRFL-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459470394 447679128 /nfs/dbraw/zinc/67/91/28/447679128.db2.gz UHXSSCSBLSAULF-ARFHVFGLSA-N 2 2 327.432 1.401 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490915783 447909726 /nfs/dbraw/zinc/90/97/26/447909726.db2.gz PPQMUGVZPKPTMQ-AWEZNQCLSA-N 2 2 330.388 1.023 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000491440617 448029874 /nfs/dbraw/zinc/02/98/74/448029874.db2.gz PZDCPEGRXHDYLM-GUDVDZBRSA-N 2 2 347.503 1.169 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC(F)F)CC2)CC1 ZINC000491805279 448133726 /nfs/dbraw/zinc/13/37/26/448133726.db2.gz NTDKIBZXBVAMHO-UHFFFAOYSA-N 2 2 327.419 1.425 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000514668856 448182348 /nfs/dbraw/zinc/18/23/48/448182348.db2.gz QGZDMBQVPHVBAN-QGZVFWFLSA-N 2 2 340.427 1.815 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000566127780 448391639 /nfs/dbraw/zinc/39/16/39/448391639.db2.gz CXSOOLNDSSQCCP-IBGZPJMESA-N 2 2 330.476 1.943 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000566127780 448391640 /nfs/dbraw/zinc/39/16/40/448391640.db2.gz CXSOOLNDSSQCCP-IBGZPJMESA-N 2 2 330.476 1.943 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@](O)(CC#N)C3)c2cc1C ZINC000592146688 448705839 /nfs/dbraw/zinc/70/58/39/448705839.db2.gz JYDPMWFAPTVIDK-CRAIPNDOSA-N 2 2 328.416 1.365 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@](O)(CC#N)C3)c2cc1C ZINC000592146688 448705841 /nfs/dbraw/zinc/70/58/41/448705841.db2.gz JYDPMWFAPTVIDK-CRAIPNDOSA-N 2 2 328.416 1.365 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000519630658 448805791 /nfs/dbraw/zinc/80/57/91/448805791.db2.gz IWXCVMQGOBQMJE-INIZCTEOSA-N 2 2 340.537 1.144 20 30 EDEDLP CC[NH+]1CCN(c2cc(C)nc(N3CC[NH+](CC)CC3)c2C#N)CC1 ZINC000589101679 448968780 /nfs/dbraw/zinc/96/87/80/448968780.db2.gz IPRPYJWBNHLFEK-UHFFFAOYSA-N 2 2 342.491 1.546 20 30 EDEDLP CC[NH+]1CCN(c2cc(C)[nH+]c(N3CC[NH+](CC)CC3)c2C#N)CC1 ZINC000589101679 448968786 /nfs/dbraw/zinc/96/87/86/448968786.db2.gz IPRPYJWBNHLFEK-UHFFFAOYSA-N 3 2 342.491 1.546 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000597989603 449173959 /nfs/dbraw/zinc/17/39/59/449173959.db2.gz GUQLIHIBZFJKBH-UHFFFAOYSA-N 2 2 348.466 1.975 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000597989603 449173967 /nfs/dbraw/zinc/17/39/67/449173967.db2.gz GUQLIHIBZFJKBH-UHFFFAOYSA-N 2 2 348.466 1.975 20 30 EDEDLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602034907 449290449 /nfs/dbraw/zinc/29/04/49/449290449.db2.gz WBKDLYBRHMZXKF-SFHVURJKSA-N 2 2 326.444 1.544 20 30 EDEDLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602034907 449290454 /nfs/dbraw/zinc/29/04/54/449290454.db2.gz WBKDLYBRHMZXKF-SFHVURJKSA-N 2 2 326.444 1.544 20 30 EDEDLP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595978301 449294707 /nfs/dbraw/zinc/29/47/07/449294707.db2.gz UOWNCJCGBZRIOM-SJORKVTESA-N 3 2 335.496 1.025 20 30 EDEDLP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595978301 449294710 /nfs/dbraw/zinc/29/47/10/449294710.db2.gz UOWNCJCGBZRIOM-SJORKVTESA-N 3 2 335.496 1.025 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713463 449512065 /nfs/dbraw/zinc/51/20/65/449512065.db2.gz ALLNOZLHUJPCFL-IRXDYDNUSA-N 2 2 339.480 1.004 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713463 449512067 /nfs/dbraw/zinc/51/20/67/449512067.db2.gz ALLNOZLHUJPCFL-IRXDYDNUSA-N 2 2 339.480 1.004 20 30 EDEDLP Cc1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C#N ZINC000618195887 450050261 /nfs/dbraw/zinc/05/02/61/450050261.db2.gz URRQHLATJMLNNI-KRWDZBQOSA-N 2 2 337.427 1.881 20 30 EDEDLP N#Cc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000595399306 450113195 /nfs/dbraw/zinc/11/31/95/450113195.db2.gz YZCAOPKIZFMXPF-SFHVURJKSA-N 2 2 326.444 1.515 20 30 EDEDLP N#Cc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000595399306 450113204 /nfs/dbraw/zinc/11/32/04/450113204.db2.gz YZCAOPKIZFMXPF-SFHVURJKSA-N 2 2 326.444 1.515 20 30 EDEDLP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000104160688 533991966 /nfs/dbraw/zinc/99/19/66/533991966.db2.gz SVVRELHXRUFQCD-QGZVFWFLSA-N 2 2 333.480 1.694 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CC1 ZINC000759605007 580010173 /nfs/dbraw/zinc/01/01/73/580010173.db2.gz OUHKMNUFWGEPFN-CGTJXYLNSA-N 2 2 335.492 1.193 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000729942573 578603438 /nfs/dbraw/zinc/60/34/38/578603438.db2.gz NMASVNTUKHBFPS-UHFFFAOYSA-N 2 2 340.537 1.213 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000748823270 579702344 /nfs/dbraw/zinc/70/23/44/579702344.db2.gz PRCXOHGVGKKRAB-VQIMIIECSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000748823270 579702345 /nfs/dbraw/zinc/70/23/45/579702345.db2.gz PRCXOHGVGKKRAB-VQIMIIECSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758192791 579976621 /nfs/dbraw/zinc/97/66/21/579976621.db2.gz QESDSMBKEUPGIG-QRQLOZEOSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000758192791 579976622 /nfs/dbraw/zinc/97/66/22/579976622.db2.gz QESDSMBKEUPGIG-QRQLOZEOSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000758192791 579976623 /nfs/dbraw/zinc/97/66/23/579976623.db2.gz QESDSMBKEUPGIG-QRQLOZEOSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000758192791 579976624 /nfs/dbraw/zinc/97/66/24/579976624.db2.gz QESDSMBKEUPGIG-QRQLOZEOSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000763821977 580106727 /nfs/dbraw/zinc/10/67/27/580106727.db2.gz BENUPFGGQDJVOH-UHFFFAOYSA-N 2 2 337.826 1.688 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000763821977 580106728 /nfs/dbraw/zinc/10/67/28/580106728.db2.gz BENUPFGGQDJVOH-UHFFFAOYSA-N 2 2 337.826 1.688 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000786124593 580662170 /nfs/dbraw/zinc/66/21/70/580662170.db2.gz HEMKKHOSKRTNEN-QUCCMNQESA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000786124593 580662171 /nfs/dbraw/zinc/66/21/71/580662171.db2.gz HEMKKHOSKRTNEN-QUCCMNQESA-N 2 2 339.483 1.950 20 30 EDEDLP COC(=O)CC[NH+]1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000788722672 580728684 /nfs/dbraw/zinc/72/86/84/580728684.db2.gz YYBLYSYFEHLTLL-UHFFFAOYSA-N 2 2 329.198 1.509 20 30 EDEDLP C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000905463358 592542171 /nfs/dbraw/zinc/54/21/71/592542171.db2.gz ZPLIJJLHWCCGHH-QZTJIDSGSA-N 2 2 340.471 1.701 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906592049 592853482 /nfs/dbraw/zinc/85/34/82/592853482.db2.gz KAPPYUDKURADDL-UHFFFAOYSA-N 2 2 346.475 1.201 20 30 EDEDLP CC1(C)CC(=[NH+]NCCC[NH+]2CCOCC2)c2cc(N)ccc2O1 ZINC000814924201 593606905 /nfs/dbraw/zinc/60/69/05/593606905.db2.gz WZBOKWFKSGKGJO-UHFFFAOYSA-N 2 2 332.448 1.846 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819024281 593734453 /nfs/dbraw/zinc/73/44/53/593734453.db2.gz NIVVYGVTNYQLMB-QGZVFWFLSA-N 2 2 338.473 1.364 20 30 EDEDLP C#CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000830301183 594370667 /nfs/dbraw/zinc/37/06/67/594370667.db2.gz HJBZORXCQJONTF-UHFFFAOYSA-N 2 2 347.503 1.483 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000852598730 596207032 /nfs/dbraw/zinc/20/70/32/596207032.db2.gz YEOXQSIIYDDJKN-ZWKOTPCHSA-N 2 2 333.476 1.045 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000852598730 596207033 /nfs/dbraw/zinc/20/70/33/596207033.db2.gz YEOXQSIIYDDJKN-ZWKOTPCHSA-N 2 2 333.476 1.045 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@]3(C#N)CCCOC3)c2)CC1 ZINC000870664843 596314263 /nfs/dbraw/zinc/31/42/63/596314263.db2.gz ASDBBNDQRJRDTC-KRWDZBQOSA-N 2 2 329.404 1.092 20 30 EDEDLP N#Cc1ccc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000871729490 596679649 /nfs/dbraw/zinc/67/96/49/596679649.db2.gz QDAFRTHSRIDUQT-UHFFFAOYSA-N 2 2 340.383 1.821 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)CC1 ZINC000870149143 596773444 /nfs/dbraw/zinc/77/34/44/596773444.db2.gz DSYNBVUALSQDIT-IBGZPJMESA-N 2 2 341.455 1.513 20 30 EDEDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(C)c(C#N)c1=O ZINC000872632005 597000471 /nfs/dbraw/zinc/00/04/71/597000471.db2.gz QPNRDMIRTPHACP-UHFFFAOYSA-N 2 2 332.448 1.276 20 30 EDEDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1ccc(C)c(C#N)c1=O ZINC000872632005 597000474 /nfs/dbraw/zinc/00/04/74/597000474.db2.gz QPNRDMIRTPHACP-UHFFFAOYSA-N 2 2 332.448 1.276 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC000992732453 695247754 /nfs/dbraw/zinc/24/77/54/695247754.db2.gz WEJDIUNUKCIKPK-IXDOHACOSA-N 2 2 328.460 1.777 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850642 700943821 /nfs/dbraw/zinc/94/38/21/700943821.db2.gz JXTCVQKQMQHKKU-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850642 700943823 /nfs/dbraw/zinc/94/38/23/700943823.db2.gz JXTCVQKQMQHKKU-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850936 700951963 /nfs/dbraw/zinc/95/19/63/700951963.db2.gz QFNMXGVDOYUUOK-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850936 700951964 /nfs/dbraw/zinc/95/19/64/700951964.db2.gz QFNMXGVDOYUUOK-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1(C)C ZINC000995811684 702059527 /nfs/dbraw/zinc/05/95/27/702059527.db2.gz IQBXUKITRMJUPF-BRWVUGGUSA-N 2 2 340.471 1.614 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001032182923 702152404 /nfs/dbraw/zinc/15/24/04/702152404.db2.gz WBSSIUOQIGKRFN-HNNXBMFYSA-N 2 2 330.407 1.197 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001032182923 702152408 /nfs/dbraw/zinc/15/24/08/702152408.db2.gz WBSSIUOQIGKRFN-HNNXBMFYSA-N 2 2 330.407 1.197 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996093078 702505748 /nfs/dbraw/zinc/50/57/48/702505748.db2.gz SARPGNHRSATWCE-MSOLQXFVSA-N 2 2 349.519 1.890 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996093078 702505753 /nfs/dbraw/zinc/50/57/53/702505753.db2.gz SARPGNHRSATWCE-MSOLQXFVSA-N 2 2 349.519 1.890 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995253731 702989759 /nfs/dbraw/zinc/98/97/59/702989759.db2.gz TYCVGFQACSTQEU-QAPCUYQASA-N 2 2 337.427 1.829 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C(F)(F)F ZINC000998277059 705660213 /nfs/dbraw/zinc/66/02/13/705660213.db2.gz NCKWOBOFOASWRD-CHWSQXEVSA-N 2 2 342.365 1.355 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999392731 706905856 /nfs/dbraw/zinc/90/58/56/706905856.db2.gz UDFRBEAYJGJXSC-WBVHZDCISA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999392731 706905857 /nfs/dbraw/zinc/90/58/57/706905857.db2.gz UDFRBEAYJGJXSC-WBVHZDCISA-N 2 2 346.500 1.630 20 30 EDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001683036 708180327 /nfs/dbraw/zinc/18/03/27/708180327.db2.gz FGEPFWSIORRDGZ-LJQANCHMSA-N 2 2 349.519 1.892 20 30 EDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001683036 708180329 /nfs/dbraw/zinc/18/03/29/708180329.db2.gz FGEPFWSIORRDGZ-LJQANCHMSA-N 2 2 349.519 1.892 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001061019940 708220709 /nfs/dbraw/zinc/22/07/09/708220709.db2.gz BTMYUWZJLBWDIV-IRXDYDNUSA-N 2 2 341.459 1.451 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001061019940 708220713 /nfs/dbraw/zinc/22/07/13/708220713.db2.gz BTMYUWZJLBWDIV-IRXDYDNUSA-N 2 2 341.459 1.451 20 30 EDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001756836 708280079 /nfs/dbraw/zinc/28/00/79/708280079.db2.gz LCWDMNOCYCKROU-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001756836 708280083 /nfs/dbraw/zinc/28/00/83/708280083.db2.gz LCWDMNOCYCKROU-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001994587 708510026 /nfs/dbraw/zinc/51/00/26/708510026.db2.gz LEJQWILGGAJSPF-UHFFFAOYSA-N 2 2 337.427 1.732 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932923 709112961 /nfs/dbraw/zinc/11/29/61/709112961.db2.gz UNYOGGOVJGCPQF-CVEARBPZSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932923 709112964 /nfs/dbraw/zinc/11/29/64/709112964.db2.gz UNYOGGOVJGCPQF-CVEARBPZSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932923 709112968 /nfs/dbraw/zinc/11/29/68/709112968.db2.gz UNYOGGOVJGCPQF-CVEARBPZSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932923 709112972 /nfs/dbraw/zinc/11/29/72/709112972.db2.gz UNYOGGOVJGCPQF-CVEARBPZSA-N 2 2 343.899 1.771 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001002849373 709458700 /nfs/dbraw/zinc/45/87/00/709458700.db2.gz ROKAVVVRXLQNPW-SJLPKXTDSA-N 2 2 340.471 1.758 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001032837121 710187265 /nfs/dbraw/zinc/18/72/65/710187265.db2.gz BPDUBVNSUIUOAY-SQNIBIBYSA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001032837121 710187268 /nfs/dbraw/zinc/18/72/68/710187268.db2.gz BPDUBVNSUIUOAY-SQNIBIBYSA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032837121 710187271 /nfs/dbraw/zinc/18/72/71/710187271.db2.gz BPDUBVNSUIUOAY-SQNIBIBYSA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032837121 710187273 /nfs/dbraw/zinc/18/72/73/710187273.db2.gz BPDUBVNSUIUOAY-SQNIBIBYSA-N 2 2 333.476 1.234 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001034799977 711138741 /nfs/dbraw/zinc/13/87/41/711138741.db2.gz VFTPEHPAFPLTMV-IYARVYRRSA-N 2 2 337.427 1.972 20 30 EDEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000329123284 539411773 /nfs/dbraw/zinc/41/17/73/539411773.db2.gz XDHJMVBYHZOJHQ-KRWDZBQOSA-N 2 2 338.496 1.618 20 30 EDEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329218310 539419982 /nfs/dbraw/zinc/41/99/82/539419982.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329218310 539419988 /nfs/dbraw/zinc/41/99/88/539419988.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329218310 539419992 /nfs/dbraw/zinc/41/99/92/539419992.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000329218310 539419997 /nfs/dbraw/zinc/41/99/97/539419997.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 2 339.528 1.246 20 30 EDEDLP Cc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCOCC2)c1 ZINC000424125567 252131772 /nfs/dbraw/zinc/13/17/72/252131772.db2.gz AHXPOVNKMXFVDP-QZTJIDSGSA-N 2 2 344.459 1.506 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000491046884 255116411 /nfs/dbraw/zinc/11/64/11/255116411.db2.gz RTEKUJJJNXPHPT-CQSZACIVSA-N 2 2 342.468 1.724 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491677618 255139722 /nfs/dbraw/zinc/13/97/22/255139722.db2.gz QXWCWLBJWMPEBC-KRWDZBQOSA-N 3 2 328.460 1.559 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491677618 255139723 /nfs/dbraw/zinc/13/97/23/255139723.db2.gz QXWCWLBJWMPEBC-KRWDZBQOSA-N 3 2 328.460 1.559 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000491628311 255133581 /nfs/dbraw/zinc/13/35/81/255133581.db2.gz OFFVMJJEFIGCRT-OAHLLOKOSA-N 2 2 325.412 1.861 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000271890437 140367866 /nfs/dbraw/zinc/36/78/66/140367866.db2.gz RXBWOOOVWXXXPV-FQEVSTJZSA-N 3 2 342.487 1.569 20 30 EDEDLP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000369672637 155133109 /nfs/dbraw/zinc/13/31/09/155133109.db2.gz QSJIVIPJPZEDBA-GOSISDBHSA-N 2 2 344.459 1.063 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000354864163 150001452 /nfs/dbraw/zinc/00/14/52/150001452.db2.gz PJAXVASKKNZQGZ-GDBMZVCRSA-N 2 2 330.411 1.332 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000354867477 150003482 /nfs/dbraw/zinc/00/34/82/150003482.db2.gz YFZREVDKIMOJDY-SJORKVTESA-N 2 2 327.407 1.994 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435344309 267279163 /nfs/dbraw/zinc/27/91/63/267279163.db2.gz UPVWCLUFIPGCPA-UHFFFAOYSA-N 2 2 340.471 1.732 20 30 EDEDLP CC(C)c1[nH+]ccn1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000074250343 441412020 /nfs/dbraw/zinc/41/20/20/441412020.db2.gz LOCAZWMQDDPKRL-UHFFFAOYSA-N 2 2 347.463 1.471 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@H](SC)C1 ZINC000088250254 441501003 /nfs/dbraw/zinc/50/10/03/441501003.db2.gz XYKKZECPVRNOQJ-JSGCOSHPSA-N 2 2 338.525 1.825 20 30 EDEDLP Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)[nH+]1 ZINC000122136953 441836118 /nfs/dbraw/zinc/83/61/18/441836118.db2.gz CQBMFWZYGPQZHE-UHFFFAOYSA-N 2 2 331.420 1.331 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000130909301 442359659 /nfs/dbraw/zinc/35/96/59/442359659.db2.gz JDLREPJJHOROLL-UHFFFAOYSA-N 2 2 346.456 1.859 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000130909301 442359662 /nfs/dbraw/zinc/35/96/62/442359662.db2.gz JDLREPJJHOROLL-UHFFFAOYSA-N 2 2 346.456 1.859 20 30 EDEDLP CN(Cc1cccc(C#N)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179314951 442619824 /nfs/dbraw/zinc/61/98/24/442619824.db2.gz ZHZOCZVLEMZOJJ-UHFFFAOYSA-N 2 2 343.475 1.726 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249572859 442988702 /nfs/dbraw/zinc/98/87/02/442988702.db2.gz OSKYEKRONBLJAH-LPHOPBHVSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249572859 442988704 /nfs/dbraw/zinc/98/87/04/442988704.db2.gz OSKYEKRONBLJAH-LPHOPBHVSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249572859 442988708 /nfs/dbraw/zinc/98/87/08/442988708.db2.gz OSKYEKRONBLJAH-LPHOPBHVSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249572859 442988712 /nfs/dbraw/zinc/98/87/12/442988712.db2.gz OSKYEKRONBLJAH-LPHOPBHVSA-N 2 2 331.460 1.246 20 30 EDEDLP Cc1cc(Br)cn2cc(CCNC3=[NH+]C[C@@H](C)N3)[nH+]c12 ZINC000262626537 443204740 /nfs/dbraw/zinc/20/47/40/443204740.db2.gz DOJIPXCDJQGEOX-SNVBAGLBSA-N 2 2 336.237 1.885 20 30 EDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266922678 443291727 /nfs/dbraw/zinc/29/17/27/443291727.db2.gz MHXFFCPRCYFKQD-CQSZACIVSA-N 2 2 338.415 1.441 20 30 EDEDLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OCCCC#N ZINC000299461389 444052318 /nfs/dbraw/zinc/05/23/18/444052318.db2.gz DOQZJPZLJDDVEW-QGZVFWFLSA-N 2 2 347.459 1.924 20 30 EDEDLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N ZINC000281817854 444013734 /nfs/dbraw/zinc/01/37/34/444013734.db2.gz WOFZYVOUCGRBGC-KRWDZBQOSA-N 2 2 344.459 1.599 20 30 EDEDLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C#N ZINC000281817854 444013738 /nfs/dbraw/zinc/01/37/38/444013738.db2.gz WOFZYVOUCGRBGC-KRWDZBQOSA-N 2 2 344.459 1.599 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000296488122 444233099 /nfs/dbraw/zinc/23/30/99/444233099.db2.gz XJJZVTCHJBMPJA-UHFFFAOYSA-N 2 2 325.416 1.627 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000296488122 444233103 /nfs/dbraw/zinc/23/31/03/444233103.db2.gz XJJZVTCHJBMPJA-UHFFFAOYSA-N 2 2 325.416 1.627 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000290128010 444245914 /nfs/dbraw/zinc/24/59/14/444245914.db2.gz ZHKAABLDMPMLHF-QGZVFWFLSA-N 2 2 329.444 1.857 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000290128010 444245917 /nfs/dbraw/zinc/24/59/17/444245917.db2.gz ZHKAABLDMPMLHF-QGZVFWFLSA-N 2 2 329.444 1.857 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310300967 444291222 /nfs/dbraw/zinc/29/12/22/444291222.db2.gz UHUJLLLSOGLYHT-WDSOQIARSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310300967 444291225 /nfs/dbraw/zinc/29/12/25/444291225.db2.gz UHUJLLLSOGLYHT-WDSOQIARSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310300967 444291226 /nfs/dbraw/zinc/29/12/26/444291226.db2.gz UHUJLLLSOGLYHT-WDSOQIARSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310300967 444291228 /nfs/dbraw/zinc/29/12/28/444291228.db2.gz UHUJLLLSOGLYHT-WDSOQIARSA-N 2 2 325.456 1.578 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000328892125 444390549 /nfs/dbraw/zinc/39/05/49/444390549.db2.gz TXMWOSJQBOZMPI-OAHLLOKOSA-N 2 2 338.496 1.618 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCC1 ZINC000333567224 444681572 /nfs/dbraw/zinc/68/15/72/444681572.db2.gz HYIFIMOCWTZKMR-UHFFFAOYSA-N 2 2 349.438 1.919 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1=O ZINC000337125765 444952710 /nfs/dbraw/zinc/95/27/10/444952710.db2.gz FKHGYRBHUGSABN-BZSNNMDCSA-N 2 2 334.508 1.264 20 30 EDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000337643129 445184568 /nfs/dbraw/zinc/18/45/68/445184568.db2.gz GYVURXLCCOFDSV-UHFFFAOYSA-N 2 2 328.460 1.979 20 30 EDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000337643129 445184573 /nfs/dbraw/zinc/18/45/73/445184573.db2.gz GYVURXLCCOFDSV-UHFFFAOYSA-N 2 2 328.460 1.979 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000361989834 446133702 /nfs/dbraw/zinc/13/37/02/446133702.db2.gz HTSYSXPQELJQMO-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384901 446560099 /nfs/dbraw/zinc/56/00/99/446560099.db2.gz HFBNFEOYZGKCHT-GJZGRUSLSA-N 2 2 337.489 1.701 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384901 446560103 /nfs/dbraw/zinc/56/01/03/446560103.db2.gz HFBNFEOYZGKCHT-GJZGRUSLSA-N 2 2 337.489 1.701 20 30 EDEDLP C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371383536 446823920 /nfs/dbraw/zinc/82/39/20/446823920.db2.gz OLVPCDBKHGKYSK-IBGZPJMESA-N 2 2 343.471 1.147 20 30 EDEDLP C#CCOc1ccccc1C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371383536 446823927 /nfs/dbraw/zinc/82/39/27/446823927.db2.gz OLVPCDBKHGKYSK-IBGZPJMESA-N 2 2 343.471 1.147 20 30 EDEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000421357591 447139785 /nfs/dbraw/zinc/13/97/85/447139785.db2.gz PHSVLIVERCWEGL-UHFFFAOYSA-N 2 2 344.434 1.683 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC000421366066 447143594 /nfs/dbraw/zinc/14/35/94/447143594.db2.gz CGCMZVIEMTXUDZ-UHFFFAOYSA-N 2 2 329.492 1.889 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC000421366066 447143599 /nfs/dbraw/zinc/14/35/99/447143599.db2.gz CGCMZVIEMTXUDZ-UHFFFAOYSA-N 2 2 329.492 1.889 20 30 EDEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000377551508 447197982 /nfs/dbraw/zinc/19/79/82/447197982.db2.gz YEGAWKPPILZBPZ-UHFFFAOYSA-N 2 2 325.456 1.844 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491251783 447972584 /nfs/dbraw/zinc/97/25/84/447972584.db2.gz CBXOSVMSYZPQAU-QGZVFWFLSA-N 2 2 339.443 1.764 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491251783 447972588 /nfs/dbraw/zinc/97/25/88/447972588.db2.gz CBXOSVMSYZPQAU-QGZVFWFLSA-N 2 2 339.443 1.764 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C#N)n3)CC2)CC1 ZINC000566197885 448412293 /nfs/dbraw/zinc/41/22/93/448412293.db2.gz CVZWNKQOSDDWEM-UHFFFAOYSA-N 2 2 342.447 1.633 20 30 EDEDLP C=CCCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583124573 448424141 /nfs/dbraw/zinc/42/41/41/448424141.db2.gz HRJCZMUBZRNBCV-UHFFFAOYSA-N 2 2 331.464 1.792 20 30 EDEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000572731848 448451386 /nfs/dbraw/zinc/45/13/86/448451386.db2.gz BSFPECQLOUXGND-UHFFFAOYSA-N 2 2 327.476 1.944 20 30 EDEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528478785 448546312 /nfs/dbraw/zinc/54/63/12/448546312.db2.gz VKDXFLXQCJLRQL-MRXNPFEDSA-N 2 2 339.439 1.702 20 30 EDEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528478785 448546315 /nfs/dbraw/zinc/54/63/15/448546315.db2.gz VKDXFLXQCJLRQL-MRXNPFEDSA-N 2 2 339.439 1.702 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000566968841 448593601 /nfs/dbraw/zinc/59/36/01/448593601.db2.gz JMMWFFBZYHNNFT-IRXDYDNUSA-N 2 2 340.427 1.970 20 30 EDEDLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000528730566 448649630 /nfs/dbraw/zinc/64/96/30/448649630.db2.gz ZCUOMGYGPJGAQU-GOSISDBHSA-N 2 2 329.444 1.778 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000578770143 448634519 /nfs/dbraw/zinc/63/45/19/448634519.db2.gz LXTASIFPAFGDQQ-QYZOEREBSA-N 2 2 326.444 1.903 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000578770143 448634521 /nfs/dbraw/zinc/63/45/21/448634521.db2.gz LXTASIFPAFGDQQ-QYZOEREBSA-N 2 2 326.444 1.903 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589310589 449006817 /nfs/dbraw/zinc/00/68/17/449006817.db2.gz OCWXWENRPUEOMJ-UHFFFAOYSA-N 2 2 340.349 1.441 20 30 EDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602009534 449273552 /nfs/dbraw/zinc/27/35/52/449273552.db2.gz XHIGACYCWCRNPP-UHFFFAOYSA-N 2 2 332.423 1.730 20 30 EDEDLP C=CCCn1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000593959102 449306552 /nfs/dbraw/zinc/30/65/52/449306552.db2.gz DYONUWAIKGXUEE-SFHVURJKSA-N 2 2 332.496 1.455 20 30 EDEDLP C=CCCn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000593959102 449306558 /nfs/dbraw/zinc/30/65/58/449306558.db2.gz DYONUWAIKGXUEE-SFHVURJKSA-N 2 2 332.496 1.455 20 30 EDEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000593979118 449311464 /nfs/dbraw/zinc/31/14/64/449311464.db2.gz GVDMMJBZNZZQSQ-INIZCTEOSA-N 2 2 336.399 1.209 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288342 449863529 /nfs/dbraw/zinc/86/35/29/449863529.db2.gz RWIGEJZICLRURN-SJORKVTESA-N 2 2 326.400 1.832 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288342 449863533 /nfs/dbraw/zinc/86/35/33/449863533.db2.gz RWIGEJZICLRURN-SJORKVTESA-N 2 2 326.400 1.832 20 30 EDEDLP N#Cc1ccc(CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000595308432 450020265 /nfs/dbraw/zinc/02/02/65/450020265.db2.gz NSXYVMHKASMPBF-UHFFFAOYSA-N 2 2 326.444 1.341 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644548210 451854608 /nfs/dbraw/zinc/85/46/08/451854608.db2.gz UMAQITRUVQDJAC-SJORKVTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644548210 451854613 /nfs/dbraw/zinc/85/46/13/451854613.db2.gz UMAQITRUVQDJAC-SJORKVTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644935828 452074175 /nfs/dbraw/zinc/07/41/75/452074175.db2.gz INIVHWBADMAOEH-ZOBUZTSGSA-N 2 2 336.480 1.045 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644935828 452074179 /nfs/dbraw/zinc/07/41/79/452074179.db2.gz INIVHWBADMAOEH-ZOBUZTSGSA-N 2 2 336.480 1.045 20 30 EDEDLP C=CCn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000648304156 452988024 /nfs/dbraw/zinc/98/80/24/452988024.db2.gz KTIHKYWOFSLKKX-UHFFFAOYSA-N 2 2 346.479 1.144 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323408 453041203 /nfs/dbraw/zinc/04/12/03/453041203.db2.gz QIMWXNAKXKTTHJ-IRXDYDNUSA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323408 453041210 /nfs/dbraw/zinc/04/12/10/453041210.db2.gz QIMWXNAKXKTTHJ-IRXDYDNUSA-N 2 2 325.497 1.842 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000171706939 526434154 /nfs/dbraw/zinc/43/41/54/526434154.db2.gz BDGNBAIGPZCATI-UHFFFAOYSA-N 2 2 327.432 1.826 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107371309 529151639 /nfs/dbraw/zinc/15/16/39/529151639.db2.gz HLVMLPQRGDQWTH-QGZVFWFLSA-N 2 2 347.507 1.041 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000107371309 529151640 /nfs/dbraw/zinc/15/16/40/529151640.db2.gz HLVMLPQRGDQWTH-QGZVFWFLSA-N 2 2 347.507 1.041 20 30 EDEDLP Cc1cnc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000742357601 579449806 /nfs/dbraw/zinc/44/98/06/579449806.db2.gz YFFJNZNBZGJIFM-UHFFFAOYSA-N 2 2 330.388 1.652 20 30 EDEDLP C#Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000728863531 578553316 /nfs/dbraw/zinc/55/33/16/578553316.db2.gz VSTUFJWYGXMHIY-UHFFFAOYSA-N 2 2 326.444 1.351 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)CC1 ZINC000748812800 579700873 /nfs/dbraw/zinc/70/08/73/579700873.db2.gz HTCKBNXCLMHUFR-IBGZPJMESA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)CC1 ZINC000748812800 579700874 /nfs/dbraw/zinc/70/08/74/579700874.db2.gz HTCKBNXCLMHUFR-IBGZPJMESA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000748817159 579701626 /nfs/dbraw/zinc/70/16/26/579701626.db2.gz KNNHZAZUOLOLGZ-RBUKOAKNSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000748817159 579701627 /nfs/dbraw/zinc/70/16/27/579701627.db2.gz KNNHZAZUOLOLGZ-RBUKOAKNSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000748817519 579701721 /nfs/dbraw/zinc/70/17/21/579701721.db2.gz ODJDIIJIQBUFNI-QGZVFWFLSA-N 2 2 345.874 1.907 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000748817519 579701723 /nfs/dbraw/zinc/70/17/23/579701723.db2.gz ODJDIIJIQBUFNI-QGZVFWFLSA-N 2 2 345.874 1.907 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000767935592 580203566 /nfs/dbraw/zinc/20/35/66/580203566.db2.gz MWGNWANFWHWZON-NRFANRHFSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000767935592 580203567 /nfs/dbraw/zinc/20/35/67/580203567.db2.gz MWGNWANFWHWZON-NRFANRHFSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000776031903 580406406 /nfs/dbraw/zinc/40/64/06/580406406.db2.gz JBBSQEAPECFCJP-HXUWFJFHSA-N 2 2 343.446 1.952 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000895812192 591278545 /nfs/dbraw/zinc/27/85/45/591278545.db2.gz NZQBQSGAAIEHCK-CABCVRRESA-N 2 2 329.448 1.193 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000895812192 591278547 /nfs/dbraw/zinc/27/85/47/591278547.db2.gz NZQBQSGAAIEHCK-CABCVRRESA-N 2 2 329.448 1.193 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902806701 592063143 /nfs/dbraw/zinc/06/31/43/592063143.db2.gz MSBXOTCQWAPUHS-WBVHZDCISA-N 2 2 329.448 1.010 20 30 EDEDLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnn1CCC#N ZINC000900692215 592096431 /nfs/dbraw/zinc/09/64/31/592096431.db2.gz HCNMTNDXFLYKSP-UHFFFAOYSA-N 2 2 346.479 1.203 20 30 EDEDLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnn1CCC#N ZINC000900692215 592096432 /nfs/dbraw/zinc/09/64/32/592096432.db2.gz HCNMTNDXFLYKSP-UHFFFAOYSA-N 2 2 346.479 1.203 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@@H+]2C)CC1=O ZINC000905002520 592363192 /nfs/dbraw/zinc/36/31/92/592363192.db2.gz QFPDVEIPMWEPCV-GFCCVEGCSA-N 2 2 325.416 1.350 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@H+]2C)CC1=O ZINC000905002520 592363199 /nfs/dbraw/zinc/36/31/99/592363199.db2.gz QFPDVEIPMWEPCV-GFCCVEGCSA-N 2 2 325.416 1.350 20 30 EDEDLP C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734274478 592958712 /nfs/dbraw/zinc/95/87/12/592958712.db2.gz XEAAUCACPBLXQC-GFCCVEGCSA-N 2 2 345.285 1.363 20 30 EDEDLP C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734274478 592958714 /nfs/dbraw/zinc/95/87/14/592958714.db2.gz XEAAUCACPBLXQC-GFCCVEGCSA-N 2 2 345.285 1.363 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000839672419 593367595 /nfs/dbraw/zinc/36/75/95/593367595.db2.gz GHXSARWVDHPQSW-JKSUJKDBSA-N 2 2 335.492 1.336 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000852861379 595581726 /nfs/dbraw/zinc/58/17/26/595581726.db2.gz DAFBFYJALWLOJA-UHFFFAOYSA-N 2 2 327.428 1.460 20 30 EDEDLP CCOC1CC(O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000863456091 596590446 /nfs/dbraw/zinc/59/04/46/596590446.db2.gz GEWMGOQWDISSPL-UHFFFAOYSA-N 2 2 333.432 1.723 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000871988039 596780208 /nfs/dbraw/zinc/78/02/08/596780208.db2.gz GUVPNYJKFWCTPO-GOSISDBHSA-N 2 2 328.460 1.011 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000871988039 596780211 /nfs/dbraw/zinc/78/02/11/596780211.db2.gz GUVPNYJKFWCTPO-GOSISDBHSA-N 2 2 328.460 1.011 20 30 EDEDLP CN1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)Cc2ccc[nH+]c21 ZINC000872314547 596878809 /nfs/dbraw/zinc/87/88/09/596878809.db2.gz IAYHXZAHONENHA-SFHVURJKSA-N 2 2 347.422 1.619 20 30 EDEDLP N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000877031507 597417338 /nfs/dbraw/zinc/41/73/38/597417338.db2.gz RQSRRGIGOONPQD-MRXNPFEDSA-N 2 2 349.866 1.103 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994156113 696547538 /nfs/dbraw/zinc/54/75/38/696547538.db2.gz GBPKFPMDJWWXBO-NVXWUHKLSA-N 2 2 337.427 1.873 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994156113 696547540 /nfs/dbraw/zinc/54/75/40/696547540.db2.gz GBPKFPMDJWWXBO-NVXWUHKLSA-N 2 2 337.427 1.873 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCOc3ccccc3)C2)CC1 ZINC001031435015 697102511 /nfs/dbraw/zinc/10/25/11/697102511.db2.gz NFMGUMKKKYVKCF-UHFFFAOYSA-N 2 2 341.455 1.211 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000939465032 699598357 /nfs/dbraw/zinc/59/83/57/699598357.db2.gz WQSZHQHKGCGBDA-RHSMWYFYSA-N 2 2 325.416 1.894 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940764577 700885697 /nfs/dbraw/zinc/88/56/97/700885697.db2.gz MIBIVBOMQSVPKX-INIZCTEOSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940764577 700885699 /nfs/dbraw/zinc/88/56/99/700885699.db2.gz MIBIVBOMQSVPKX-INIZCTEOSA-N 2 2 328.460 1.612 20 30 EDEDLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001031948389 701514524 /nfs/dbraw/zinc/51/45/24/701514524.db2.gz XTTLMBNVLKQZEL-UHFFFAOYSA-N 2 2 344.434 1.587 20 30 EDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032205972 702121072 /nfs/dbraw/zinc/12/10/72/702121072.db2.gz NZZPEEMOIKMHIR-IBGZPJMESA-N 2 2 340.471 1.981 20 30 EDEDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032205972 702121076 /nfs/dbraw/zinc/12/10/76/702121076.db2.gz NZZPEEMOIKMHIR-IBGZPJMESA-N 2 2 340.471 1.981 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063327 702520311 /nfs/dbraw/zinc/52/03/11/702520311.db2.gz GNLMVPFLJNISGK-WBVHZDCISA-N 2 2 328.460 1.612 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063327 702520314 /nfs/dbraw/zinc/52/03/14/702520314.db2.gz GNLMVPFLJNISGK-WBVHZDCISA-N 2 2 328.460 1.612 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000996715525 703010036 /nfs/dbraw/zinc/01/00/36/703010036.db2.gz OBUWMDYEOHPUTP-KRWDZBQOSA-N 2 2 337.427 1.782 20 30 EDEDLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032445022 703622762 /nfs/dbraw/zinc/62/27/62/703622762.db2.gz RTFNYOFVFQPUBO-FHWLQOOXSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032445022 703622763 /nfs/dbraw/zinc/62/27/63/703622763.db2.gz RTFNYOFVFQPUBO-FHWLQOOXSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032445023 703622770 /nfs/dbraw/zinc/62/27/70/703622770.db2.gz RTFNYOFVFQPUBO-GBESFXJTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032445023 703622771 /nfs/dbraw/zinc/62/27/71/703622771.db2.gz RTFNYOFVFQPUBO-GBESFXJTSA-N 2 2 338.455 1.684 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085359 704149002 /nfs/dbraw/zinc/14/90/02/704149002.db2.gz SWROUYJNQISSBF-AWEZNQCLSA-N 2 2 339.871 1.344 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085359 704149003 /nfs/dbraw/zinc/14/90/03/704149003.db2.gz SWROUYJNQISSBF-AWEZNQCLSA-N 2 2 339.871 1.344 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998256021 705617189 /nfs/dbraw/zinc/61/71/89/705617189.db2.gz AQPLXULBFIPAHD-VXGBXAGGSA-N 2 2 328.338 1.345 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998274600 705653148 /nfs/dbraw/zinc/65/31/48/705653148.db2.gz FPMCGAPYRTZZEJ-CHWSQXEVSA-N 2 2 330.354 1.828 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000999557459 707055536 /nfs/dbraw/zinc/05/55/36/707055536.db2.gz UAIINIYZIBZHGI-UHFFFAOYSA-N 2 2 329.872 1.429 20 30 EDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837691 707408449 /nfs/dbraw/zinc/40/84/49/707408449.db2.gz RTEVMNOCAOCNJZ-GOSISDBHSA-N 2 2 337.427 1.926 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000999834663 707467238 /nfs/dbraw/zinc/46/72/38/707467238.db2.gz CRHPRHYOZFNKGQ-GOSISDBHSA-N 2 2 337.427 1.926 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663672 708444360 /nfs/dbraw/zinc/44/43/60/708444360.db2.gz XOUWMJCNUQGHTR-QWHCGFSZSA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663672 708444361 /nfs/dbraw/zinc/44/43/61/708444361.db2.gz XOUWMJCNUQGHTR-QWHCGFSZSA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663672 708444363 /nfs/dbraw/zinc/44/43/63/708444363.db2.gz XOUWMJCNUQGHTR-QWHCGFSZSA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663672 708444365 /nfs/dbraw/zinc/44/43/65/708444365.db2.gz XOUWMJCNUQGHTR-QWHCGFSZSA-N 2 2 330.270 1.379 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033839070 708869527 /nfs/dbraw/zinc/86/95/27/708869527.db2.gz PKAPUPDORQGREJ-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033839070 708869529 /nfs/dbraw/zinc/86/95/29/708869529.db2.gz PKAPUPDORQGREJ-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033839070 708869533 /nfs/dbraw/zinc/86/95/33/708869533.db2.gz PKAPUPDORQGREJ-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033839070 708869537 /nfs/dbraw/zinc/86/95/37/708869537.db2.gz PKAPUPDORQGREJ-YJBOKZPZSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033880621 708977482 /nfs/dbraw/zinc/97/74/82/708977482.db2.gz MRFZTTTXKFFYNN-JKSUJKDBSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033880621 708977483 /nfs/dbraw/zinc/97/74/83/708977483.db2.gz MRFZTTTXKFFYNN-JKSUJKDBSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033880621 708977484 /nfs/dbraw/zinc/97/74/84/708977484.db2.gz MRFZTTTXKFFYNN-JKSUJKDBSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033880621 708977485 /nfs/dbraw/zinc/97/74/85/708977485.db2.gz MRFZTTTXKFFYNN-JKSUJKDBSA-N 2 2 328.460 1.769 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378463 710297248 /nfs/dbraw/zinc/29/72/48/710297248.db2.gz QOBVPBRJEBMPEM-GOSISDBHSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378463 710297251 /nfs/dbraw/zinc/29/72/51/710297251.db2.gz QOBVPBRJEBMPEM-GOSISDBHSA-N 2 2 335.492 1.644 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003971483 711123428 /nfs/dbraw/zinc/12/34/28/711123428.db2.gz PYPCMWHMROEPIS-UHFFFAOYSA-N 2 2 336.439 1.595 20 30 EDEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000329484521 539438743 /nfs/dbraw/zinc/43/87/43/539438743.db2.gz QMUZCQQPSRIMRW-OAHLLOKOSA-N 2 2 325.501 1.000 20 30 EDEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000329484521 539438748 /nfs/dbraw/zinc/43/87/48/539438748.db2.gz QMUZCQQPSRIMRW-OAHLLOKOSA-N 2 2 325.501 1.000 20 30 EDEDLP C[C@@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)NC1CC1 ZINC000113249847 296204585 /nfs/dbraw/zinc/20/45/85/296204585.db2.gz FRWRVQMOZXQIET-CQSZACIVSA-N 2 2 344.459 1.977 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247033114 249313833 /nfs/dbraw/zinc/31/38/33/249313833.db2.gz DNLNNXDVVIBWPH-HZPDHXFCSA-N 2 2 328.420 1.422 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247033114 249313837 /nfs/dbraw/zinc/31/38/37/249313837.db2.gz DNLNNXDVVIBWPH-HZPDHXFCSA-N 2 2 328.420 1.422 20 30 EDEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCSCC1 ZINC000263279248 249328296 /nfs/dbraw/zinc/32/82/96/249328296.db2.gz ZKTBZBJFFQHDAM-UHFFFAOYSA-N 2 2 326.510 1.385 20 30 EDEDLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329379248 249839252 /nfs/dbraw/zinc/83/92/52/249839252.db2.gz MWGWWXZCXRGTHC-UHFFFAOYSA-N 2 2 349.479 1.801 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354662007 250096002 /nfs/dbraw/zinc/09/60/02/250096002.db2.gz AHOMILMZEUNZKQ-UHFFFAOYSA-N 2 2 330.423 1.657 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361530897 250175120 /nfs/dbraw/zinc/17/51/20/250175120.db2.gz MPEFYZUMJNHKQA-MRXNPFEDSA-N 2 2 344.459 1.801 20 30 EDEDLP C#C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000374276785 250257738 /nfs/dbraw/zinc/25/77/38/250257738.db2.gz FEYBCHSUEPVKIK-UJJTZGENSA-N 2 2 332.492 1.597 20 30 EDEDLP C#C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000374276785 250257739 /nfs/dbraw/zinc/25/77/39/250257739.db2.gz FEYBCHSUEPVKIK-UJJTZGENSA-N 2 2 332.492 1.597 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000492068427 267278702 /nfs/dbraw/zinc/27/87/02/267278702.db2.gz JZTZRBVYAVKSIS-FPLPWBNLSA-N 2 2 326.444 1.714 20 30 EDEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068594069 441828256 /nfs/dbraw/zinc/82/82/56/441828256.db2.gz LFPFOWGTLHSDND-MRXNPFEDSA-N 2 2 343.475 1.726 20 30 EDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000127412204 442200666 /nfs/dbraw/zinc/20/06/66/442200666.db2.gz SJTWMJSTHSUHSP-SFHVURJKSA-N 2 2 338.411 1.817 20 30 EDEDLP C#CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000155769673 442426187 /nfs/dbraw/zinc/42/61/87/442426187.db2.gz ZFGKMGKTMMFPKT-UHFFFAOYSA-N 2 2 340.471 1.998 20 30 EDEDLP C#CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000155769673 442426192 /nfs/dbraw/zinc/42/61/92/442426192.db2.gz ZFGKMGKTMMFPKT-UHFFFAOYSA-N 2 2 340.471 1.998 20 30 EDEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000156389691 442475221 /nfs/dbraw/zinc/47/52/21/442475221.db2.gz NCVJEMDLCVWKII-MRXNPFEDSA-N 2 2 328.416 1.877 20 30 EDEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000156389691 442475226 /nfs/dbraw/zinc/47/52/26/442475226.db2.gz NCVJEMDLCVWKII-MRXNPFEDSA-N 2 2 328.416 1.877 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172843741 442553685 /nfs/dbraw/zinc/55/36/85/442553685.db2.gz JEOSXKXAAIECDP-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172843741 442553689 /nfs/dbraw/zinc/55/36/89/442553689.db2.gz JEOSXKXAAIECDP-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577469 442793983 /nfs/dbraw/zinc/79/39/83/442793983.db2.gz LUZKYNCJCGMWEH-AYBZRNKSSA-N 2 2 332.492 1.990 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246577469 442793984 /nfs/dbraw/zinc/79/39/84/442793984.db2.gz LUZKYNCJCGMWEH-AYBZRNKSSA-N 2 2 332.492 1.990 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246577469 442793989 /nfs/dbraw/zinc/79/39/89/442793989.db2.gz LUZKYNCJCGMWEH-AYBZRNKSSA-N 2 2 332.492 1.990 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246577469 442793992 /nfs/dbraw/zinc/79/39/92/442793992.db2.gz LUZKYNCJCGMWEH-AYBZRNKSSA-N 2 2 332.492 1.990 20 30 EDEDLP CC[NH+]=C(NCCc1nc(C)no1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977788 443177256 /nfs/dbraw/zinc/17/72/56/443177256.db2.gz OBOWFXLMROGFDW-UKRRQHHQSA-N 2 2 345.451 1.666 20 30 EDEDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NCC(C)C)CC2)cc1 ZINC000264125164 443250324 /nfs/dbraw/zinc/25/03/24/443250324.db2.gz WDOYYZCVULPCLQ-UHFFFAOYSA-N 2 2 333.480 1.378 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289303817 444102263 /nfs/dbraw/zinc/10/22/63/444102263.db2.gz IMNKYOSHVOTQBW-INIZCTEOSA-N 2 2 344.459 1.801 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289303817 444102267 /nfs/dbraw/zinc/10/22/67/444102267.db2.gz IMNKYOSHVOTQBW-INIZCTEOSA-N 2 2 344.459 1.801 20 30 EDEDLP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328822470 444364808 /nfs/dbraw/zinc/36/48/08/444364808.db2.gz GFMLGPJPGZJIEM-CVEARBPZSA-N 2 2 339.480 1.433 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329224878 444505963 /nfs/dbraw/zinc/50/59/63/444505963.db2.gz FUFUIEWHYWDQGZ-ZBFHGGJFSA-N 2 2 347.463 1.428 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000329346600 444543461 /nfs/dbraw/zinc/54/34/61/444543461.db2.gz CGGYHSJNMHEJPP-UHFFFAOYSA-N 2 2 349.454 1.784 20 30 EDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704243 444686287 /nfs/dbraw/zinc/68/62/87/444686287.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704243 444686293 /nfs/dbraw/zinc/68/62/93/444686293.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329704243 444686297 /nfs/dbraw/zinc/68/62/97/444686297.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329704243 444686301 /nfs/dbraw/zinc/68/63/01/444686301.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 2 347.463 1.366 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330238870 444901175 /nfs/dbraw/zinc/90/11/75/444901175.db2.gz DOLRGVPRDIEQDY-ZDUSSCGKSA-N 2 2 337.468 1.316 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330238870 444901179 /nfs/dbraw/zinc/90/11/79/444901179.db2.gz DOLRGVPRDIEQDY-ZDUSSCGKSA-N 2 2 337.468 1.316 20 30 EDEDLP CC[C@H](c1nnc(SCC#N)n1CCN1CCOCC1)[NH+](C)C ZINC000337476940 445097540 /nfs/dbraw/zinc/09/75/40/445097540.db2.gz XFPPZGPKLXSFLX-CYBMUJFWSA-N 2 2 338.481 1.239 20 30 EDEDLP CC[C@H](c1nnc(SCC#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000337476940 445097544 /nfs/dbraw/zinc/09/75/44/445097544.db2.gz XFPPZGPKLXSFLX-CYBMUJFWSA-N 2 2 338.481 1.239 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000363641224 445862672 /nfs/dbraw/zinc/86/26/72/445862672.db2.gz LEIKQLBXAILYPH-AWEZNQCLSA-N 2 2 333.436 1.483 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000363641224 445862675 /nfs/dbraw/zinc/86/26/75/445862675.db2.gz LEIKQLBXAILYPH-AWEZNQCLSA-N 2 2 333.436 1.483 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363762097 445873472 /nfs/dbraw/zinc/87/34/72/445873472.db2.gz BSQKWBZHHDGJKJ-SFHVURJKSA-N 2 2 340.471 1.774 20 30 EDEDLP CN(C(=O)c1cccc(F)c1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369962921 446171073 /nfs/dbraw/zinc/17/10/73/446171073.db2.gz AVQQWUXFQPVNLJ-HNNXBMFYSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1cccc(F)c1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369962921 446171078 /nfs/dbraw/zinc/17/10/78/446171078.db2.gz AVQQWUXFQPVNLJ-HNNXBMFYSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370845445 446476804 /nfs/dbraw/zinc/47/68/04/446476804.db2.gz UWODLGCDPQLMPS-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370845445 446476807 /nfs/dbraw/zinc/47/68/07/446476807.db2.gz UWODLGCDPQLMPS-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000371514676 446908122 /nfs/dbraw/zinc/90/81/22/446908122.db2.gz OXSQRSSAQSXSRV-QFBILLFUSA-N 2 2 328.460 1.615 20 30 EDEDLP C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375783773 447043867 /nfs/dbraw/zinc/04/38/67/447043867.db2.gz AESNYTPSFCRPCI-OAHLLOKOSA-N 2 2 326.444 1.799 20 30 EDEDLP COCC[NH+](CCOC)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425249094 447079956 /nfs/dbraw/zinc/07/99/56/447079956.db2.gz BTZUXLZYDBYCEJ-UHFFFAOYSA-N 2 2 332.448 1.825 20 30 EDEDLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000395743747 447541029 /nfs/dbraw/zinc/54/10/29/447541029.db2.gz VUDVVVRDWBEZJM-UHFFFAOYSA-N 2 2 335.473 1.794 20 30 EDEDLP C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459470401 447679178 /nfs/dbraw/zinc/67/91/78/447679178.db2.gz UHXSSCSBLSAULF-XHSDSOJGSA-N 2 2 327.432 1.401 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1C#N ZINC000488189102 447843039 /nfs/dbraw/zinc/84/30/39/447843039.db2.gz ARHXQUMZYVHEGB-GOSISDBHSA-N 2 2 326.444 1.605 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1C#N ZINC000488189102 447843040 /nfs/dbraw/zinc/84/30/40/447843040.db2.gz ARHXQUMZYVHEGB-GOSISDBHSA-N 2 2 326.444 1.605 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CSCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000491241557 447969800 /nfs/dbraw/zinc/96/98/00/447969800.db2.gz KDUHFLVXMVYFMD-UHFFFAOYSA-N 2 2 345.512 1.629 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CSCC[N@H+](C)Cc2ccccc2)CC1 ZINC000491241557 447969807 /nfs/dbraw/zinc/96/98/07/447969807.db2.gz KDUHFLVXMVYFMD-UHFFFAOYSA-N 2 2 345.512 1.629 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000570908114 448082522 /nfs/dbraw/zinc/08/25/22/448082522.db2.gz QBUQYJOBDPGXLM-JKSUJKDBSA-N 2 2 336.505 1.681 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000570908114 448082528 /nfs/dbraw/zinc/08/25/28/448082528.db2.gz QBUQYJOBDPGXLM-JKSUJKDBSA-N 2 2 336.505 1.681 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000515212839 448276592 /nfs/dbraw/zinc/27/65/92/448276592.db2.gz IGSDLEAWARCQJD-CALCHBBNSA-N 2 2 336.480 1.189 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013197 448369559 /nfs/dbraw/zinc/36/95/59/448369559.db2.gz IGZBYUGTIULICK-RTBURBONSA-N 2 2 330.476 1.619 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013197 448369563 /nfs/dbraw/zinc/36/95/63/448369563.db2.gz IGZBYUGTIULICK-RTBURBONSA-N 2 2 330.476 1.619 20 30 EDEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000583258535 448427902 /nfs/dbraw/zinc/42/79/02/448427902.db2.gz NTLODKKLIZEVHN-GOSISDBHSA-N 2 2 345.491 1.365 20 30 EDEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000583258535 448427907 /nfs/dbraw/zinc/42/79/07/448427907.db2.gz NTLODKKLIZEVHN-GOSISDBHSA-N 2 2 345.491 1.365 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578999575 448691439 /nfs/dbraw/zinc/69/14/39/448691439.db2.gz MJDQYCKOFDSMJA-HZPDHXFCSA-N 2 2 326.400 1.293 20 30 EDEDLP N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595612541 449079244 /nfs/dbraw/zinc/07/92/44/449079244.db2.gz XYVJNRGGQNIIED-IBGZPJMESA-N 2 2 340.471 1.956 20 30 EDEDLP N#CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595612541 449079248 /nfs/dbraw/zinc/07/92/48/449079248.db2.gz XYVJNRGGQNIIED-IBGZPJMESA-N 2 2 340.471 1.956 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3(C#N)CCOCC3)c2)CC1 ZINC000601799362 449161036 /nfs/dbraw/zinc/16/10/36/449161036.db2.gz YJJZQDYXZFQICI-UHFFFAOYSA-N 2 2 343.431 1.482 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(CCC#N)CC3)c2cc1C ZINC000611175718 449202383 /nfs/dbraw/zinc/20/23/83/449202383.db2.gz JANFUMBKAAPDGK-KRWDZBQOSA-N 2 2 341.459 1.545 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600757347 449536248 /nfs/dbraw/zinc/53/62/48/449536248.db2.gz SPINZYRZYHBGIB-ROUUACIJSA-N 2 2 329.444 1.904 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600757347 449536249 /nfs/dbraw/zinc/53/62/49/449536249.db2.gz SPINZYRZYHBGIB-ROUUACIJSA-N 2 2 329.444 1.904 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000594435698 449514766 /nfs/dbraw/zinc/51/47/66/449514766.db2.gz ILDJELCJMUVCSH-OAHLLOKOSA-N 2 2 335.477 1.589 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000594435698 449514772 /nfs/dbraw/zinc/51/47/72/449514772.db2.gz ILDJELCJMUVCSH-OAHLLOKOSA-N 2 2 335.477 1.589 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000594441851 449521475 /nfs/dbraw/zinc/52/14/75/449521475.db2.gz XFQKYNQOWSXRQF-KRWDZBQOSA-N 2 2 330.432 1.869 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598730374 449567919 /nfs/dbraw/zinc/56/79/19/449567919.db2.gz UMSVGLGVDKLRSU-OALUTQOASA-N 2 2 344.503 1.693 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598730374 449567921 /nfs/dbraw/zinc/56/79/21/449567921.db2.gz UMSVGLGVDKLRSU-OALUTQOASA-N 2 2 344.503 1.693 20 30 EDEDLP Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820717 449729912 /nfs/dbraw/zinc/72/99/12/449729912.db2.gz GPPBPSPBHJYIGL-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820717 449729915 /nfs/dbraw/zinc/72/99/15/449729915.db2.gz GPPBPSPBHJYIGL-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602853868 449860320 /nfs/dbraw/zinc/86/03/20/449860320.db2.gz MKWPEYNIXIHDFJ-MKXGPGLRSA-N 2 2 346.523 1.213 20 30 EDEDLP C[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602853868 449860332 /nfs/dbraw/zinc/86/03/32/449860332.db2.gz MKWPEYNIXIHDFJ-MKXGPGLRSA-N 2 2 346.523 1.213 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000730097990 578614011 /nfs/dbraw/zinc/61/40/11/578614011.db2.gz QGEZJINOXFDOQZ-IBGZPJMESA-N 2 2 341.455 1.233 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000730097990 578614013 /nfs/dbraw/zinc/61/40/13/578614013.db2.gz QGEZJINOXFDOQZ-IBGZPJMESA-N 2 2 341.455 1.233 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000730270544 578638012 /nfs/dbraw/zinc/63/80/12/578638012.db2.gz FQDUHCNQLUXPSU-GFWYJJLOSA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000730270544 578638014 /nfs/dbraw/zinc/63/80/14/578638014.db2.gz FQDUHCNQLUXPSU-GFWYJJLOSA-N 2 2 337.467 1.942 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1CC#N ZINC000777399852 580440831 /nfs/dbraw/zinc/44/08/31/580440831.db2.gz CVFCXSSNDPEVJS-UHFFFAOYSA-N 2 2 342.487 1.780 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1CC#N ZINC000777399852 580440832 /nfs/dbraw/zinc/44/08/32/580440832.db2.gz CVFCXSSNDPEVJS-UHFFFAOYSA-N 2 2 342.487 1.780 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCCO1 ZINC000775788901 580400381 /nfs/dbraw/zinc/40/03/81/580400381.db2.gz KFXCUAFEPPGSGU-IAGOWNOFSA-N 2 2 347.484 1.163 20 30 EDEDLP COc1ncc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000799175940 581021330 /nfs/dbraw/zinc/02/13/30/581021330.db2.gz XYKXNMYZSXEWDZ-UHFFFAOYSA-N 2 2 329.404 1.692 20 30 EDEDLP C#CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000905012125 592367559 /nfs/dbraw/zinc/36/75/59/592367559.db2.gz CCNIZRBJPJOZMT-UHFFFAOYSA-N 3 2 333.399 1.720 20 30 EDEDLP C#CCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000888287292 592934674 /nfs/dbraw/zinc/93/46/74/592934674.db2.gz WWUFFPJIUOAHIL-INIZCTEOSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000888287292 592934676 /nfs/dbraw/zinc/93/46/76/592934676.db2.gz WWUFFPJIUOAHIL-INIZCTEOSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC)c2ccccc2OC)CC1 ZINC000805835640 593153085 /nfs/dbraw/zinc/15/30/85/593153085.db2.gz PNNDMEJVWDQKHQ-SFHVURJKSA-N 2 2 343.471 1.856 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC)c2ccccc2OC)CC1 ZINC000805835640 593153087 /nfs/dbraw/zinc/15/30/87/593153087.db2.gz PNNDMEJVWDQKHQ-SFHVURJKSA-N 2 2 343.471 1.856 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN(CCC)CC[NH+]2CCCCCC2)CC1 ZINC000808781472 593287614 /nfs/dbraw/zinc/28/76/14/593287614.db2.gz HZHMFOUNWHQAND-UHFFFAOYSA-N 2 2 348.535 1.352 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843829028 595195983 /nfs/dbraw/zinc/19/59/83/595195983.db2.gz XFODSVUDLNAJGU-MOPGFXCFSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843829028 595195986 /nfs/dbraw/zinc/19/59/86/595195986.db2.gz XFODSVUDLNAJGU-MOPGFXCFSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000843829028 595195989 /nfs/dbraw/zinc/19/59/89/595195989.db2.gz XFODSVUDLNAJGU-MOPGFXCFSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000843829028 595195993 /nfs/dbraw/zinc/19/59/93/595195993.db2.gz XFODSVUDLNAJGU-MOPGFXCFSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843829029 595196369 /nfs/dbraw/zinc/19/63/69/595196369.db2.gz XFODSVUDLNAJGU-OALUTQOASA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843829029 595196371 /nfs/dbraw/zinc/19/63/71/595196371.db2.gz XFODSVUDLNAJGU-OALUTQOASA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000843829029 595196373 /nfs/dbraw/zinc/19/63/73/595196373.db2.gz XFODSVUDLNAJGU-OALUTQOASA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000843829029 595196375 /nfs/dbraw/zinc/19/63/75/595196375.db2.gz XFODSVUDLNAJGU-OALUTQOASA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000847074730 595359794 /nfs/dbraw/zinc/35/97/94/595359794.db2.gz MPEHPMUEEFBCGT-AWEZNQCLSA-N 2 2 327.419 1.567 20 30 EDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858224655 595735657 /nfs/dbraw/zinc/73/56/57/595735657.db2.gz NVKSLJCUMGDTPY-YOEHRIQHSA-N 2 2 330.432 1.407 20 30 EDEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858224655 595735658 /nfs/dbraw/zinc/73/56/58/595735658.db2.gz NVKSLJCUMGDTPY-YOEHRIQHSA-N 2 2 330.432 1.407 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876710371 597297859 /nfs/dbraw/zinc/29/78/59/597297859.db2.gz HDGODXRNSNLGQY-MRXNPFEDSA-N 2 2 337.851 1.680 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876710614 597298012 /nfs/dbraw/zinc/29/80/12/597298012.db2.gz MMAJRKVXHMXXJF-CVEARBPZSA-N 2 2 337.851 1.474 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876710614 597298014 /nfs/dbraw/zinc/29/80/14/597298014.db2.gz MMAJRKVXHMXXJF-CVEARBPZSA-N 2 2 337.851 1.474 20 30 EDEDLP C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCN1c1cc[nH+]cc1 ZINC000880262355 597886263 /nfs/dbraw/zinc/88/62/63/597886263.db2.gz XJXUVWQNAJYQRQ-INIZCTEOSA-N 2 2 340.431 1.248 20 30 EDEDLP C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCN1c1cc[nH+]cc1 ZINC000880262355 597886264 /nfs/dbraw/zinc/88/62/64/597886264.db2.gz XJXUVWQNAJYQRQ-INIZCTEOSA-N 2 2 340.431 1.248 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000884198378 598025015 /nfs/dbraw/zinc/02/50/15/598025015.db2.gz UMGOXLCUUMWVAQ-KEYYUXOJSA-N 2 2 325.453 1.060 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000884222779 598034451 /nfs/dbraw/zinc/03/44/51/598034451.db2.gz AHUPOJHNIZBPEF-OKZBNKHCSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000884222779 598034454 /nfs/dbraw/zinc/03/44/54/598034454.db2.gz AHUPOJHNIZBPEF-OKZBNKHCSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823841559 608355378 /nfs/dbraw/zinc/35/53/78/608355378.db2.gz OWXJZYDAHHZJSA-UHFFFAOYSA-N 2 2 347.426 1.950 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC000992732456 695247722 /nfs/dbraw/zinc/24/77/22/695247722.db2.gz WEJDIUNUKCIKPK-YESZJQIVSA-N 2 2 328.460 1.777 20 30 EDEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000917140170 696952904 /nfs/dbraw/zinc/95/29/04/696952904.db2.gz LRIIDPFVGYFWKM-UHFFFAOYSA-N 2 2 344.382 1.780 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756877 698833508 /nfs/dbraw/zinc/83/35/08/698833508.db2.gz XEPHBSATRGALFN-PBHICJAKSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756877 698833513 /nfs/dbraw/zinc/83/35/13/698833513.db2.gz XEPHBSATRGALFN-PBHICJAKSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939213027 699362212 /nfs/dbraw/zinc/36/22/12/699362212.db2.gz ARDRJZLEOSWNRZ-ABAIWWIYSA-N 2 2 329.429 1.522 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939216656 699388828 /nfs/dbraw/zinc/38/88/28/699388828.db2.gz XBTHLUOQCIQTFW-SJCJKPOMSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031977953 701976535 /nfs/dbraw/zinc/97/65/35/701976535.db2.gz KXPBPLULDHZVLR-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031977953 701976539 /nfs/dbraw/zinc/97/65/39/701976539.db2.gz KXPBPLULDHZVLR-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP C=CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996800514 703086526 /nfs/dbraw/zinc/08/65/26/703086526.db2.gz CLEURRVRRYXBGR-UHFFFAOYSA-N 2 2 331.464 1.114 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998307158 705714305 /nfs/dbraw/zinc/71/43/05/705714305.db2.gz WEIHOUWNXZLOCQ-OLZOCXBDSA-N 2 2 330.354 1.518 20 30 EDEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032626891 705725055 /nfs/dbraw/zinc/72/50/55/705725055.db2.gz OCRSRAUCRXPXMW-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032626891 705725057 /nfs/dbraw/zinc/72/50/57/705725057.db2.gz OCRSRAUCRXPXMW-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032626891 705725059 /nfs/dbraw/zinc/72/50/59/705725059.db2.gz OCRSRAUCRXPXMW-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032626891 705725061 /nfs/dbraw/zinc/72/50/61/705725061.db2.gz OCRSRAUCRXPXMW-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCOC2CCC2)C1 ZINC001034248826 709610519 /nfs/dbraw/zinc/61/05/19/709610519.db2.gz CDSDJNFWMYMQNB-HKUYNNGSSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCOC2CCC2)C1 ZINC001034248826 709610521 /nfs/dbraw/zinc/61/05/21/709610521.db2.gz CDSDJNFWMYMQNB-HKUYNNGSSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCOC2CCC2)C1 ZINC001034248826 709610524 /nfs/dbraw/zinc/61/05/24/709610524.db2.gz CDSDJNFWMYMQNB-HKUYNNGSSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCOC2CCC2)C1 ZINC001034248826 709610526 /nfs/dbraw/zinc/61/05/26/709610526.db2.gz CDSDJNFWMYMQNB-HKUYNNGSSA-N 2 2 347.503 1.624 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003776336 710545412 /nfs/dbraw/zinc/54/54/12/710545412.db2.gz MPKNYSBEJHJINJ-UHFFFAOYSA-N 2 2 339.871 1.391 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001034799541 711135941 /nfs/dbraw/zinc/13/59/41/711135941.db2.gz JRXBQISAAVQTNC-IYARVYRRSA-N 2 2 337.427 1.972 20 30 EDEDLP COCC1(C#N)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000341984700 250005561 /nfs/dbraw/zinc/00/55/61/250005561.db2.gz FAEBPZCMISSYDX-UHFFFAOYSA-N 2 2 336.480 1.228 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000424159147 252149727 /nfs/dbraw/zinc/14/97/27/252149727.db2.gz UXRHBHDSTMRHGP-MRXNPFEDSA-N 2 2 325.416 1.763 20 30 EDEDLP C#CC[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108872 /nfs/dbraw/zinc/10/88/72/255108872.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C#CC[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108874 /nfs/dbraw/zinc/10/88/74/255108874.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C#CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108875 /nfs/dbraw/zinc/10/88/75/255108875.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C#CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108877 /nfs/dbraw/zinc/10/88/77/255108877.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)cc1 ZINC000418381942 268219620 /nfs/dbraw/zinc/21/96/20/268219620.db2.gz HBNIACTVTNSPMI-UHFFFAOYSA-N 2 2 341.459 1.655 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000539198419 306034793 /nfs/dbraw/zinc/03/47/93/306034793.db2.gz LDVUPYAFGBUMSD-HOTGVXAUSA-N 2 2 326.400 1.521 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000539198419 306034794 /nfs/dbraw/zinc/03/47/94/306034794.db2.gz LDVUPYAFGBUMSD-HOTGVXAUSA-N 2 2 326.400 1.521 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000058179095 441156224 /nfs/dbraw/zinc/15/62/24/441156224.db2.gz ILYMKWGPMHMXMK-MJGOQNOKSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000058179095 441156229 /nfs/dbraw/zinc/15/62/29/441156229.db2.gz ILYMKWGPMHMXMK-MJGOQNOKSA-N 2 2 347.459 1.244 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000073228537 441303243 /nfs/dbraw/zinc/30/32/43/441303243.db2.gz YCLHXRXLTDBSCZ-UHFFFAOYSA-N 2 2 325.456 1.253 20 30 EDEDLP Cc1nnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)c1C ZINC000050954459 441393488 /nfs/dbraw/zinc/39/34/88/441393488.db2.gz IFXBQFIPCKZHRM-UHFFFAOYSA-N 2 2 328.464 1.936 20 30 EDEDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000127412452 442200484 /nfs/dbraw/zinc/20/04/84/442200484.db2.gz SJTWMJSTHSUHSP-GOSISDBHSA-N 2 2 338.411 1.817 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000130234705 442342003 /nfs/dbraw/zinc/34/20/03/442342003.db2.gz LWTAEQYBVNNCQN-UHFFFAOYSA-N 2 2 334.851 1.967 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000134225682 442459985 /nfs/dbraw/zinc/45/99/85/442459985.db2.gz ROFRWTJLLFRWJG-QFBILLFUSA-N 2 2 341.455 1.088 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000134225682 442459988 /nfs/dbraw/zinc/45/99/88/442459988.db2.gz ROFRWTJLLFRWJG-QFBILLFUSA-N 2 2 341.455 1.088 20 30 EDEDLP Cn1c[nH+]cc1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000192971177 442702191 /nfs/dbraw/zinc/70/21/91/442702191.db2.gz OTKFHGDZIJSBMX-UHFFFAOYSA-N 2 2 339.443 1.815 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000181979141 442725075 /nfs/dbraw/zinc/72/50/75/442725075.db2.gz JONKDBFAEVFAKC-MAUKXSAKSA-N 2 2 342.443 1.142 20 30 EDEDLP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953654 443175326 /nfs/dbraw/zinc/17/53/26/443175326.db2.gz IDOTXVQQYBOAGB-IJEWVQPXSA-N 2 2 337.493 1.209 20 30 EDEDLP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262262851 443188016 /nfs/dbraw/zinc/18/80/16/443188016.db2.gz FEBGWXQKTZMJNM-JYJNAYRXSA-N 2 2 348.495 1.598 20 30 EDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524093 443156772 /nfs/dbraw/zinc/15/67/72/443156772.db2.gz AQOQQZNZSSZNJO-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524093 443156776 /nfs/dbraw/zinc/15/67/76/443156776.db2.gz AQOQQZNZSSZNJO-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524093 443156778 /nfs/dbraw/zinc/15/67/78/443156778.db2.gz AQOQQZNZSSZNJO-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524093 443156780 /nfs/dbraw/zinc/15/67/80/443156780.db2.gz AQOQQZNZSSZNJO-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C=CC[N@@H+](CCOC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191130062 443246441 /nfs/dbraw/zinc/24/64/41/443246441.db2.gz RYVRIWHEOSTSIG-MRXNPFEDSA-N 2 2 332.448 1.253 20 30 EDEDLP C=CC[N@H+](CCOC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191130062 443246443 /nfs/dbraw/zinc/24/64/43/443246443.db2.gz RYVRIWHEOSTSIG-MRXNPFEDSA-N 2 2 332.448 1.253 20 30 EDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1OCCCC#N ZINC000264781293 443421628 /nfs/dbraw/zinc/42/16/28/443421628.db2.gz UMRHIRKBYBRHEU-QGZVFWFLSA-N 2 2 346.475 1.713 20 30 EDEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1OCCCC#N ZINC000264781293 443421632 /nfs/dbraw/zinc/42/16/32/443421632.db2.gz UMRHIRKBYBRHEU-QGZVFWFLSA-N 2 2 346.475 1.713 20 30 EDEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000292859140 443862586 /nfs/dbraw/zinc/86/25/86/443862586.db2.gz SCHFDCLWEIFHTK-UHFFFAOYSA-N 2 2 337.225 1.493 20 30 EDEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000292859140 443862590 /nfs/dbraw/zinc/86/25/90/443862590.db2.gz SCHFDCLWEIFHTK-UHFFFAOYSA-N 2 2 337.225 1.493 20 30 EDEDLP CC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000277064338 443899331 /nfs/dbraw/zinc/89/93/31/443899331.db2.gz DLWDCYOPBYTWIP-SFHVURJKSA-N 2 2 326.444 1.733 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)[C@H]3CCOC3)CC2)cc1 ZINC000538406606 320743383 /nfs/dbraw/zinc/74/33/83/320743383.db2.gz LYBGTCXQMGZFNX-PKOBYXMFSA-N 2 2 329.444 1.510 20 30 EDEDLP COc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000281720464 443988760 /nfs/dbraw/zinc/98/87/60/443988760.db2.gz PEWONLFWDNSNBO-UHFFFAOYSA-N 2 2 330.432 1.209 20 30 EDEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000562989075 321085323 /nfs/dbraw/zinc/08/53/23/321085323.db2.gz DUHQCAWFQFADRE-HZPDHXFCSA-N 2 2 335.473 1.794 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468890 444152507 /nfs/dbraw/zinc/15/25/07/444152507.db2.gz YWPDAHHLYLJJLC-JKSUJKDBSA-N 2 2 344.459 1.826 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468890 444152510 /nfs/dbraw/zinc/15/25/10/444152510.db2.gz YWPDAHHLYLJJLC-JKSUJKDBSA-N 2 2 344.459 1.826 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000296116862 444206004 /nfs/dbraw/zinc/20/60/04/444206004.db2.gz YDQJNTMKQSDQNN-HNNXBMFYSA-N 2 2 345.447 1.363 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000296116862 444206006 /nfs/dbraw/zinc/20/60/06/444206006.db2.gz YDQJNTMKQSDQNN-HNNXBMFYSA-N 2 2 345.447 1.363 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC000290091714 444241451 /nfs/dbraw/zinc/24/14/51/444241451.db2.gz VZIDSDLYNPLIOY-GOSISDBHSA-N 2 2 328.460 1.525 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC000290091714 444241454 /nfs/dbraw/zinc/24/14/54/444241454.db2.gz VZIDSDLYNPLIOY-GOSISDBHSA-N 2 2 328.460 1.525 20 30 EDEDLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC000290091714 444241456 /nfs/dbraw/zinc/24/14/56/444241456.db2.gz VZIDSDLYNPLIOY-GOSISDBHSA-N 2 2 328.460 1.525 20 30 EDEDLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC000290091714 444241458 /nfs/dbraw/zinc/24/14/58/444241458.db2.gz VZIDSDLYNPLIOY-GOSISDBHSA-N 2 2 328.460 1.525 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000297580075 444304239 /nfs/dbraw/zinc/30/42/39/444304239.db2.gz UDVCMRBXCXSXFO-UHFFFAOYSA-N 2 2 331.464 1.566 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000297580075 444304240 /nfs/dbraw/zinc/30/42/40/444304240.db2.gz UDVCMRBXCXSXFO-UHFFFAOYSA-N 2 2 331.464 1.566 20 30 EDEDLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000328861024 444378934 /nfs/dbraw/zinc/37/89/34/444378934.db2.gz YVZSZLAIKSSGPS-OAHLLOKOSA-N 2 2 345.447 1.159 20 30 EDEDLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000328861024 444378938 /nfs/dbraw/zinc/37/89/38/444378938.db2.gz YVZSZLAIKSSGPS-OAHLLOKOSA-N 2 2 345.447 1.159 20 30 EDEDLP Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329203047 444500198 /nfs/dbraw/zinc/50/01/98/444500198.db2.gz YGYGEASOHRMORT-SJORKVTESA-N 2 2 346.479 1.079 20 30 EDEDLP Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329203047 444500200 /nfs/dbraw/zinc/50/02/00/444500200.db2.gz YGYGEASOHRMORT-SJORKVTESA-N 2 2 346.479 1.079 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329279390 444519693 /nfs/dbraw/zinc/51/96/93/444519693.db2.gz MMCKTXNRIAGRFV-OAGGEKHMSA-N 2 2 347.463 1.470 20 30 EDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000329371937 444553593 /nfs/dbraw/zinc/55/35/93/444553593.db2.gz JDRZSHWXKNOEIA-LSDHHAIUSA-N 2 2 338.496 1.474 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329955533 444785750 /nfs/dbraw/zinc/78/57/50/444785750.db2.gz KSXJLSBQSFYKED-HZPDHXFCSA-N 2 2 348.495 1.877 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329955533 444785756 /nfs/dbraw/zinc/78/57/56/444785756.db2.gz KSXJLSBQSFYKED-HZPDHXFCSA-N 2 2 348.495 1.877 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000329957852 444786706 /nfs/dbraw/zinc/78/67/06/444786706.db2.gz MDAXIDGDFRFLQO-GOEBONIOSA-N 2 2 346.479 1.107 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329957852 444786709 /nfs/dbraw/zinc/78/67/09/444786709.db2.gz MDAXIDGDFRFLQO-GOEBONIOSA-N 2 2 346.479 1.107 20 30 EDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000330394580 444964499 /nfs/dbraw/zinc/96/44/99/444964499.db2.gz LTZCLQGJLUGDGP-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000330394580 444964502 /nfs/dbraw/zinc/96/45/02/444964502.db2.gz LTZCLQGJLUGDGP-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000330394580 444964504 /nfs/dbraw/zinc/96/45/04/444964504.db2.gz LTZCLQGJLUGDGP-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000330394580 444964507 /nfs/dbraw/zinc/96/45/07/444964507.db2.gz LTZCLQGJLUGDGP-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362327052 446321536 /nfs/dbraw/zinc/32/15/36/446321536.db2.gz PNQSTBRJLRJHFT-CYBMUJFWSA-N 2 2 344.419 1.466 20 30 EDEDLP C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000362327052 446321540 /nfs/dbraw/zinc/32/15/40/446321540.db2.gz PNQSTBRJLRJHFT-CYBMUJFWSA-N 2 2 344.419 1.466 20 30 EDEDLP N#CC1CCC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000367044298 446486145 /nfs/dbraw/zinc/48/61/45/446486145.db2.gz VAEWLPPTRNFYOE-UHFFFAOYSA-N 2 2 334.508 1.703 20 30 EDEDLP N#CC1CCC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000367044298 446486152 /nfs/dbraw/zinc/48/61/52/446486152.db2.gz VAEWLPPTRNFYOE-UHFFFAOYSA-N 2 2 334.508 1.703 20 30 EDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371382191 446821776 /nfs/dbraw/zinc/82/17/76/446821776.db2.gz YHNQMPMCHLFGBC-HNNXBMFYSA-N 2 2 334.489 1.458 20 30 EDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000372663048 447211611 /nfs/dbraw/zinc/21/16/11/447211611.db2.gz IKHKOHFCOWYITK-XLIONFOSSA-N 2 2 342.487 1.958 20 30 EDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000372663048 447211616 /nfs/dbraw/zinc/21/16/16/447211616.db2.gz IKHKOHFCOWYITK-XLIONFOSSA-N 2 2 342.487 1.958 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000491772010 448116018 /nfs/dbraw/zinc/11/60/18/448116018.db2.gz PVEHJFMTWXEPOP-UHFFFAOYSA-N 2 2 326.444 1.038 20 30 EDEDLP CN1CC[N@@H+](C)Cc2ccc(NC[C@H](O)C[NH+](C)CCC#N)cc21 ZINC000576746272 448129910 /nfs/dbraw/zinc/12/99/10/448129910.db2.gz FIPKOMKAZHIIHP-KRWDZBQOSA-N 2 2 331.464 1.186 20 30 EDEDLP CN1CC[NH+](C)Cc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc21 ZINC000576746272 448129916 /nfs/dbraw/zinc/12/99/16/448129916.db2.gz FIPKOMKAZHIIHP-KRWDZBQOSA-N 2 2 331.464 1.186 20 30 EDEDLP CN1CC[NH+](C)Cc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000576746272 448129923 /nfs/dbraw/zinc/12/99/23/448129923.db2.gz FIPKOMKAZHIIHP-KRWDZBQOSA-N 2 2 331.464 1.186 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946918 448230961 /nfs/dbraw/zinc/23/09/61/448230961.db2.gz LVDHKPXFXYUXGF-IBGZPJMESA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946918 448230964 /nfs/dbraw/zinc/23/09/64/448230964.db2.gz LVDHKPXFXYUXGF-IBGZPJMESA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946918 448230966 /nfs/dbraw/zinc/23/09/66/448230966.db2.gz LVDHKPXFXYUXGF-IBGZPJMESA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946918 448230969 /nfs/dbraw/zinc/23/09/69/448230969.db2.gz LVDHKPXFXYUXGF-IBGZPJMESA-N 2 2 329.444 1.586 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]cc2NCc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000584795054 448636511 /nfs/dbraw/zinc/63/65/11/448636511.db2.gz DFAHHFOTSDLHKE-UHFFFAOYSA-N 3 2 347.426 1.965 20 30 EDEDLP CN(C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1(C#N)CCCCC1 ZINC000592183211 448725059 /nfs/dbraw/zinc/72/50/59/448725059.db2.gz SQLJRIJCJNGHAT-UHFFFAOYSA-N 2 2 348.491 1.468 20 30 EDEDLP CN(C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C1(C#N)CCCCC1 ZINC000592183211 448725063 /nfs/dbraw/zinc/72/50/63/448725063.db2.gz SQLJRIJCJNGHAT-UHFFFAOYSA-N 2 2 348.491 1.468 20 30 EDEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602035063 449290151 /nfs/dbraw/zinc/29/01/51/449290151.db2.gz WRMQBSKSCQLKAU-SFHVURJKSA-N 2 2 326.444 1.687 20 30 EDEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602035063 449290153 /nfs/dbraw/zinc/29/01/53/449290153.db2.gz WRMQBSKSCQLKAU-SFHVURJKSA-N 2 2 326.444 1.687 20 30 EDEDLP COc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596604290 449570764 /nfs/dbraw/zinc/57/07/64/449570764.db2.gz DHHKOVZYRRPLCU-UHFFFAOYSA-N 2 2 347.463 1.250 20 30 EDEDLP COc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596604290 449570768 /nfs/dbraw/zinc/57/07/68/449570768.db2.gz DHHKOVZYRRPLCU-UHFFFAOYSA-N 2 2 347.463 1.250 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000596671102 449598503 /nfs/dbraw/zinc/59/85/03/449598503.db2.gz YQOLNYCHFFGIMK-UHFFFAOYSA-N 2 2 331.464 1.283 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000596671102 449598505 /nfs/dbraw/zinc/59/85/05/449598505.db2.gz YQOLNYCHFFGIMK-UHFFFAOYSA-N 2 2 331.464 1.283 20 30 EDEDLP N#CCCN1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602796203 449817215 /nfs/dbraw/zinc/81/72/15/449817215.db2.gz DNMKLNKIFXSOHE-IBGZPJMESA-N 2 2 328.460 1.155 20 30 EDEDLP N#CCCN1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602796203 449817220 /nfs/dbraw/zinc/81/72/20/449817220.db2.gz DNMKLNKIFXSOHE-IBGZPJMESA-N 2 2 328.460 1.155 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893317 449900406 /nfs/dbraw/zinc/90/04/06/449900406.db2.gz URFRCUZRJVSECI-SFHVURJKSA-N 2 2 333.432 1.334 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893317 449900408 /nfs/dbraw/zinc/90/04/08/449900408.db2.gz URFRCUZRJVSECI-SFHVURJKSA-N 2 2 333.432 1.334 20 30 EDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898548 449906534 /nfs/dbraw/zinc/90/65/34/449906534.db2.gz GHAOTOZCKYDCSE-GOSISDBHSA-N 2 2 346.475 1.374 20 30 EDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898548 449906537 /nfs/dbraw/zinc/90/65/37/449906537.db2.gz GHAOTOZCKYDCSE-GOSISDBHSA-N 2 2 346.475 1.374 20 30 EDEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599475015 450004755 /nfs/dbraw/zinc/00/47/55/450004755.db2.gz XZTIVENSRGONKL-UHFFFAOYSA-N 2 2 348.472 1.745 20 30 EDEDLP C=CCCSCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595516003 450199833 /nfs/dbraw/zinc/19/98/33/450199833.db2.gz OHJVQVJGCFEHQD-OAHLLOKOSA-N 2 2 340.537 1.763 20 30 EDEDLP C=CCCSCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595516003 450199837 /nfs/dbraw/zinc/19/98/37/450199837.db2.gz OHJVQVJGCFEHQD-OAHLLOKOSA-N 2 2 340.537 1.763 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664806196 453417899 /nfs/dbraw/zinc/41/78/99/453417899.db2.gz KMIZRPCMNGQTSP-JKSUJKDBSA-N 2 2 326.485 1.150 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664806196 453417887 /nfs/dbraw/zinc/41/78/87/453417887.db2.gz KMIZRPCMNGQTSP-JKSUJKDBSA-N 2 2 326.485 1.150 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230996 527610872 /nfs/dbraw/zinc/61/08/72/527610872.db2.gz LCPQETQASYSTOL-SFHVURJKSA-N 2 2 334.508 1.289 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230996 527610877 /nfs/dbraw/zinc/61/08/77/527610877.db2.gz LCPQETQASYSTOL-SFHVURJKSA-N 2 2 334.508 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCOc2ccccc2C)CC1 ZINC000748813225 579700867 /nfs/dbraw/zinc/70/08/67/579700867.db2.gz KVGBTVCJWMTHFM-UHFFFAOYSA-N 2 2 343.471 1.473 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCOc2ccccc2C)CC1 ZINC000748813225 579700868 /nfs/dbraw/zinc/70/08/68/579700868.db2.gz KVGBTVCJWMTHFM-UHFFFAOYSA-N 2 2 343.471 1.473 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000748824081 579702524 /nfs/dbraw/zinc/70/25/24/579702524.db2.gz HSJQSDSRSANUJK-LPHOPBHVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000748824081 579702525 /nfs/dbraw/zinc/70/25/25/579702525.db2.gz HSJQSDSRSANUJK-LPHOPBHVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000754879472 579915035 /nfs/dbraw/zinc/91/50/35/579915035.db2.gz ZECHACFBHIWBJX-IBGZPJMESA-N 2 2 341.455 1.679 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000754879472 579915036 /nfs/dbraw/zinc/91/50/36/579915036.db2.gz ZECHACFBHIWBJX-IBGZPJMESA-N 2 2 341.455 1.679 20 30 EDEDLP Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771553356 580288783 /nfs/dbraw/zinc/28/87/83/580288783.db2.gz OVQFJDCGDSWXEQ-UHFFFAOYSA-N 2 2 326.404 1.688 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793502848 580846265 /nfs/dbraw/zinc/84/62/65/580846265.db2.gz BKSSLHYBQISZJW-MOPGFXCFSA-N 2 2 325.456 1.469 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000793502848 580846266 /nfs/dbraw/zinc/84/62/66/580846266.db2.gz BKSSLHYBQISZJW-MOPGFXCFSA-N 2 2 325.456 1.469 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000793502848 580846267 /nfs/dbraw/zinc/84/62/67/580846267.db2.gz BKSSLHYBQISZJW-MOPGFXCFSA-N 2 2 325.456 1.469 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000793502848 580846268 /nfs/dbraw/zinc/84/62/68/580846268.db2.gz BKSSLHYBQISZJW-MOPGFXCFSA-N 2 2 325.456 1.469 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794593649 580899237 /nfs/dbraw/zinc/89/92/37/580899237.db2.gz NQXJPCQTKOERLQ-ROUUACIJSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000794593649 580899238 /nfs/dbraw/zinc/89/92/38/580899238.db2.gz NQXJPCQTKOERLQ-ROUUACIJSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000794593649 580899239 /nfs/dbraw/zinc/89/92/39/580899239.db2.gz NQXJPCQTKOERLQ-ROUUACIJSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000794593649 580899240 /nfs/dbraw/zinc/89/92/40/580899240.db2.gz NQXJPCQTKOERLQ-ROUUACIJSA-N 2 2 327.428 1.289 20 30 EDEDLP C#C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000796009303 580943431 /nfs/dbraw/zinc/94/34/31/580943431.db2.gz CCTFEDWDSXCQRT-WOJBJXKFSA-N 2 2 327.472 1.969 20 30 EDEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896031244 591325365 /nfs/dbraw/zinc/32/53/65/591325365.db2.gz SKSYKSIKMSTWGB-HXUWFJFHSA-N 2 2 327.472 1.424 20 30 EDEDLP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000896034453 591326110 /nfs/dbraw/zinc/32/61/10/591326110.db2.gz CKNDDGAGKSEMRW-INIZCTEOSA-N 2 2 341.496 1.892 20 30 EDEDLP C[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822914497 594121120 /nfs/dbraw/zinc/12/11/20/594121120.db2.gz GICLTNCQYCYZLX-CQSZACIVSA-N 2 2 341.419 1.577 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480130 595136259 /nfs/dbraw/zinc/13/62/59/595136259.db2.gz LKKXPBQKWFJGJQ-OIISXLGYSA-N 2 2 330.407 1.408 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480130 595136261 /nfs/dbraw/zinc/13/62/61/595136261.db2.gz LKKXPBQKWFJGJQ-OIISXLGYSA-N 2 2 330.407 1.408 20 30 EDEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847025871 595352966 /nfs/dbraw/zinc/35/29/66/595352966.db2.gz XACVJTDIRSUKQS-QGZVFWFLSA-N 2 2 341.455 1.803 20 30 EDEDLP C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847025871 595352969 /nfs/dbraw/zinc/35/29/69/595352969.db2.gz XACVJTDIRSUKQS-QGZVFWFLSA-N 2 2 341.455 1.803 20 30 EDEDLP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)co1 ZINC000848508379 595399467 /nfs/dbraw/zinc/39/94/67/595399467.db2.gz NEIWGPZQMLZSBS-UHFFFAOYSA-N 2 2 330.388 1.652 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000852856087 595578262 /nfs/dbraw/zinc/57/82/62/595578262.db2.gz UMXNOECCCHAOFZ-UHFFFAOYSA-N 2 2 345.874 1.987 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000852598727 596207237 /nfs/dbraw/zinc/20/72/37/596207237.db2.gz YEOXQSIIYDDJKN-MSOLQXFVSA-N 2 2 333.476 1.045 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000852598727 596207239 /nfs/dbraw/zinc/20/72/39/596207239.db2.gz YEOXQSIIYDDJKN-MSOLQXFVSA-N 2 2 333.476 1.045 20 30 EDEDLP C#Cc1ccccc1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665300 596314580 /nfs/dbraw/zinc/31/45/80/596314580.db2.gz PNGCUPCVYJJDLY-UHFFFAOYSA-N 2 2 334.423 1.996 20 30 EDEDLP CCNc1ccccc1C=[NH+]NC(=S)NCCC[NH+]1CCOCC1 ZINC000872330792 596881931 /nfs/dbraw/zinc/88/19/31/596881931.db2.gz VLFYRWARTLTDQN-UHFFFAOYSA-N 2 2 349.504 1.639 20 30 EDEDLP CC(C)[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000877252001 597480245 /nfs/dbraw/zinc/48/02/45/597480245.db2.gz WZXKZVDWMUOOFT-QZTJIDSGSA-N 2 2 326.444 1.544 20 30 EDEDLP CC(C)[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000877252001 597480249 /nfs/dbraw/zinc/48/02/49/597480249.db2.gz WZXKZVDWMUOOFT-QZTJIDSGSA-N 2 2 326.444 1.544 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939856734 699995954 /nfs/dbraw/zinc/99/59/54/699995954.db2.gz PCWFTEDFCWBLGA-SWLSCSKDSA-N 2 2 329.429 1.453 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939855693 699993826 /nfs/dbraw/zinc/99/38/26/699993826.db2.gz GKHLMYKKDDSROM-GUYCJALGSA-N 2 2 341.390 1.531 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccc(C)cc3C)C2)CC1 ZINC001031434754 697101302 /nfs/dbraw/zinc/10/13/02/697101302.db2.gz CZGDHGVAGMNKHH-UHFFFAOYSA-N 2 2 339.483 1.949 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939213391 699362801 /nfs/dbraw/zinc/36/28/01/699362801.db2.gz CWQSLLMASKDLKL-SJKOYZFVSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939216036 699387919 /nfs/dbraw/zinc/38/79/19/699387919.db2.gz RJQGBEGZAOQCIY-SJKOYZFVSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000939533700 699671762 /nfs/dbraw/zinc/67/17/62/699671762.db2.gz DNCRVJGDAFTUDS-RDTXWAMCSA-N 2 2 337.427 1.471 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850437 700935275 /nfs/dbraw/zinc/93/52/75/700935275.db2.gz FJCRDURNTYVGNT-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1cc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)ccc1F ZINC001032130461 701843726 /nfs/dbraw/zinc/84/37/26/701843726.db2.gz RCXOSPQMONYENM-UHFFFAOYSA-N 2 2 342.418 1.341 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC1 ZINC001032205403 702057236 /nfs/dbraw/zinc/05/72/36/702057236.db2.gz YBXPCPHQHDYRDI-UHFFFAOYSA-N 2 2 349.478 1.431 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921406 702243584 /nfs/dbraw/zinc/24/35/84/702243584.db2.gz HYXGPDVNWLVPAI-HOTGVXAUSA-N 2 2 330.432 1.099 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921406 702243589 /nfs/dbraw/zinc/24/35/89/702243589.db2.gz HYXGPDVNWLVPAI-HOTGVXAUSA-N 2 2 330.432 1.099 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995251745 702980071 /nfs/dbraw/zinc/98/00/71/702980071.db2.gz QNLWMQJOOQLULY-ROUUACIJSA-N 2 2 337.427 1.829 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996713526 703008599 /nfs/dbraw/zinc/00/85/99/703008599.db2.gz JLZMTLCORAMPLO-LBPRGKRZSA-N 2 2 341.253 1.618 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996995036 703251810 /nfs/dbraw/zinc/25/18/10/703251810.db2.gz CVWWQHGZGDTIMD-HIFRSBDPSA-N 2 2 329.872 1.286 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996995036 703251812 /nfs/dbraw/zinc/25/18/12/703251812.db2.gz CVWWQHGZGDTIMD-HIFRSBDPSA-N 2 2 329.872 1.286 20 30 EDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997648592 703963969 /nfs/dbraw/zinc/96/39/69/703963969.db2.gz JLAWSARTQTXKTA-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997696334 704577411 /nfs/dbraw/zinc/57/74/11/704577411.db2.gz JESMRVYNMIYNHB-LPHOPBHVSA-N 2 2 349.519 1.890 20 30 EDEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997696334 704577412 /nfs/dbraw/zinc/57/74/12/704577412.db2.gz JESMRVYNMIYNHB-LPHOPBHVSA-N 2 2 349.519 1.890 20 30 EDEDLP N#Cc1ccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000998297510 705700371 /nfs/dbraw/zinc/70/03/71/705700371.db2.gz KQELTJFYUZXKOM-UHFFFAOYSA-N 2 2 337.427 1.783 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999391375 706904565 /nfs/dbraw/zinc/90/45/65/706904565.db2.gz LABSYTMSLAGMHH-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC000999391375 706904566 /nfs/dbraw/zinc/90/45/66/706904566.db2.gz LABSYTMSLAGMHH-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999686875 707240088 /nfs/dbraw/zinc/24/00/88/707240088.db2.gz AVOLOOQYRKNJMC-UHFFFAOYSA-N 2 2 337.427 1.613 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594482 708296093 /nfs/dbraw/zinc/29/60/93/708296093.db2.gz QLQGSPLZFSHPDJ-CYBMUJFWSA-N 2 2 342.281 1.524 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594482 708296095 /nfs/dbraw/zinc/29/60/95/708296095.db2.gz QLQGSPLZFSHPDJ-CYBMUJFWSA-N 2 2 342.281 1.524 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001003493074 710375544 /nfs/dbraw/zinc/37/55/44/710375544.db2.gz KOSUGGFKNAMRAT-SFHVURJKSA-N 2 2 335.492 1.787 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001003493074 710375545 /nfs/dbraw/zinc/37/55/45/710375545.db2.gz KOSUGGFKNAMRAT-SFHVURJKSA-N 2 2 335.492 1.787 20 30 EDEDLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCCCC1 ZINC000329081816 539404443 /nfs/dbraw/zinc/40/44/43/539404443.db2.gz DGNRNIFVSAYJPP-HNNXBMFYSA-N 2 2 326.485 1.475 20 30 EDEDLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCCCC1 ZINC000329081816 539404449 /nfs/dbraw/zinc/40/44/49/539404449.db2.gz DGNRNIFVSAYJPP-HNNXBMFYSA-N 2 2 326.485 1.475 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330347352 539551430 /nfs/dbraw/zinc/55/14/30/539551430.db2.gz HMWHJLXNJNYFOH-LBPRGKRZSA-N 2 2 346.435 1.248 20 30 EDEDLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127403552 237186119 /nfs/dbraw/zinc/18/61/19/237186119.db2.gz QCWQNOLRNLKBAB-UHFFFAOYSA-N 2 2 328.460 1.694 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266946290 249352101 /nfs/dbraw/zinc/35/21/01/249352101.db2.gz SJDCOHDKUYERPN-OAHLLOKOSA-N 2 2 344.463 1.273 20 30 EDEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362688462 250183566 /nfs/dbraw/zinc/18/35/66/250183566.db2.gz ZUOANUHHGFIGNF-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362688462 250183570 /nfs/dbraw/zinc/18/35/70/250183570.db2.gz ZUOANUHHGFIGNF-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000424296285 252191389 /nfs/dbraw/zinc/19/13/89/252191389.db2.gz OBYVZCJBQXGFGH-YJBOKZPZSA-N 2 2 326.448 1.859 20 30 EDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000424296285 252191393 /nfs/dbraw/zinc/19/13/93/252191393.db2.gz OBYVZCJBQXGFGH-YJBOKZPZSA-N 2 2 326.448 1.859 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)C[C@H]2CC=CCC2)CC1 ZINC000491667265 255137296 /nfs/dbraw/zinc/13/72/96/255137296.db2.gz MRTVNKBFLLOUFI-SFHVURJKSA-N 2 2 333.476 1.069 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000571189340 306560491 /nfs/dbraw/zinc/56/04/91/306560491.db2.gz PBKYCEUBZVICKA-NUJGCVRESA-N 2 2 347.459 1.387 20 30 EDEDLP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000357640164 151097058 /nfs/dbraw/zinc/09/70/58/151097058.db2.gz YKKFVYQNXXNFTD-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000357640164 151097059 /nfs/dbraw/zinc/09/70/59/151097059.db2.gz YKKFVYQNXXNFTD-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000360896339 152244807 /nfs/dbraw/zinc/24/48/07/152244807.db2.gz FTIKEFOQGXHWOM-UHFFFAOYSA-N 2 2 329.448 1.112 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000491692314 275382433 /nfs/dbraw/zinc/38/24/33/275382433.db2.gz QYQDSLLQNJDNLE-INIZCTEOSA-N 2 2 335.398 1.750 20 30 EDEDLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(CCC#N)CC[NH+]1CCOCC1 ZINC000367919866 297263142 /nfs/dbraw/zinc/26/31/42/297263142.db2.gz CGWHWMUCQJENLS-QZTJIDSGSA-N 2 2 335.496 1.008 20 30 EDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000043311156 441833514 /nfs/dbraw/zinc/83/35/14/441833514.db2.gz VLUOKBIYFMFNTB-UHFFFAOYSA-N 2 2 340.431 1.528 20 30 EDEDLP CC[NH+]=C(NCCn1cncn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968349 443176509 /nfs/dbraw/zinc/17/65/09/443176509.db2.gz MBNJTGLCOVTXAW-HUUCEWRRSA-N 2 2 330.440 1.023 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261655952 443162957 /nfs/dbraw/zinc/16/29/57/443162957.db2.gz ADFPKOVEIJSOPV-GOEBONIOSA-N 3 2 329.452 1.547 20 30 EDEDLP CN(C)C(=[NH+]Cc1cccc(OCC[NH+]2CCOCC2)c1)N(C)C ZINC000264127021 443251154 /nfs/dbraw/zinc/25/11/54/443251154.db2.gz WQAKCDYJGGFANA-UHFFFAOYSA-N 2 2 334.464 1.377 20 30 EDEDLP CC[N@H+](CCO)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278729039 443416305 /nfs/dbraw/zinc/41/63/05/443416305.db2.gz UDOURVSOLUJOLD-UHFFFAOYSA-N 2 2 342.447 1.263 20 30 EDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278729039 443416306 /nfs/dbraw/zinc/41/63/06/443416306.db2.gz UDOURVSOLUJOLD-UHFFFAOYSA-N 2 2 342.447 1.263 20 30 EDEDLP C=CCCO[C@@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275832874 443644354 /nfs/dbraw/zinc/64/43/54/443644354.db2.gz WYSZYCKWCLNOBM-HOTGVXAUSA-N 2 2 346.475 1.872 20 30 EDEDLP C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+](C)C ZINC000298363964 443754308 /nfs/dbraw/zinc/75/43/08/443754308.db2.gz SKOCUMWATLWEKV-GFCCVEGCSA-N 2 2 327.432 1.596 20 30 EDEDLP Cn1ncc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000289491660 444157428 /nfs/dbraw/zinc/15/74/28/444157428.db2.gz ZBBIUHOZVYXZDD-UHFFFAOYSA-N 2 2 328.420 1.638 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000296495505 444233597 /nfs/dbraw/zinc/23/35/97/444233597.db2.gz YILRXFFLBSPFPL-UHFFFAOYSA-N 2 2 341.459 1.989 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000296495505 444233599 /nfs/dbraw/zinc/23/35/99/444233599.db2.gz YILRXFFLBSPFPL-UHFFFAOYSA-N 2 2 341.459 1.989 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(CCO)CCOC3)CC2)cc1 ZINC000305797153 444281407 /nfs/dbraw/zinc/28/14/07/444281407.db2.gz VYRLAUSDXFKCQL-HXUWFJFHSA-N 2 2 343.471 1.901 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000329100702 444472551 /nfs/dbraw/zinc/47/25/51/444472551.db2.gz DUHPRXVGXHFGFI-IYBDPMFKSA-N 2 2 348.495 1.325 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000329100702 444472554 /nfs/dbraw/zinc/47/25/54/444472554.db2.gz DUHPRXVGXHFGFI-IYBDPMFKSA-N 2 2 348.495 1.325 20 30 EDEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329134363 444480687 /nfs/dbraw/zinc/48/06/87/444480687.db2.gz BPIWNJGVKPDAIW-HNNXBMFYSA-N 2 2 334.468 1.070 20 30 EDEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000580384452 322042507 /nfs/dbraw/zinc/04/25/07/322042507.db2.gz VQODSWIKJDPODB-UHFFFAOYSA-N 2 2 333.461 1.001 20 30 EDEDLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329378162 444556629 /nfs/dbraw/zinc/55/66/29/444556629.db2.gz OVVZOCHIEZZWPR-CQSZACIVSA-N 2 2 329.448 1.801 20 30 EDEDLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329378162 444556634 /nfs/dbraw/zinc/55/66/34/444556634.db2.gz OVVZOCHIEZZWPR-CQSZACIVSA-N 2 2 329.448 1.801 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329449282 444583611 /nfs/dbraw/zinc/58/36/11/444583611.db2.gz LHELPOGRZQPHAF-PMPSAXMXSA-N 2 2 347.463 1.155 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329449282 444583615 /nfs/dbraw/zinc/58/36/15/444583615.db2.gz LHELPOGRZQPHAF-PMPSAXMXSA-N 2 2 347.463 1.155 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329913403 444765654 /nfs/dbraw/zinc/76/56/54/444765654.db2.gz XIGVQXPDOIAXTH-ZIAGYGMSSA-N 2 2 328.420 1.583 20 30 EDEDLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(C#N)c1 ZINC000344116036 444789231 /nfs/dbraw/zinc/78/92/31/444789231.db2.gz FULVORSKHSZRDK-KRWDZBQOSA-N 2 2 330.476 1.599 20 30 EDEDLP CC[C@]1(O)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000330286112 444923441 /nfs/dbraw/zinc/92/34/41/444923441.db2.gz ZOCPNJLVFYBTQA-SFHVURJKSA-N 2 2 338.496 1.306 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365533909 446244356 /nfs/dbraw/zinc/24/43/56/446244356.db2.gz CWIATSTWGNWGAK-IKGGRYGDSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365533909 446244359 /nfs/dbraw/zinc/24/43/59/446244359.db2.gz CWIATSTWGNWGAK-IKGGRYGDSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365533909 446244361 /nfs/dbraw/zinc/24/43/61/446244361.db2.gz CWIATSTWGNWGAK-IKGGRYGDSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365533909 446244362 /nfs/dbraw/zinc/24/43/62/446244362.db2.gz CWIATSTWGNWGAK-IKGGRYGDSA-N 2 2 329.448 1.058 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC(=O)N3)CC2)cc1 ZINC000376109767 446339376 /nfs/dbraw/zinc/33/93/76/446339376.db2.gz CDZKUKWWAQMDLY-GOSISDBHSA-N 2 2 326.444 1.781 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376063229 447245109 /nfs/dbraw/zinc/24/51/09/447245109.db2.gz YTQLJLFLOWSJSU-AWEZNQCLSA-N 2 2 344.434 1.938 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376063229 447245115 /nfs/dbraw/zinc/24/51/15/447245115.db2.gz YTQLJLFLOWSJSU-AWEZNQCLSA-N 2 2 344.434 1.938 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)C1=O ZINC000451021276 447652756 /nfs/dbraw/zinc/65/27/56/447652756.db2.gz CIUOHEQHOWXUMO-HUUCEWRRSA-N 2 2 330.432 1.388 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)C1=O ZINC000451021276 447652761 /nfs/dbraw/zinc/65/27/61/447652761.db2.gz CIUOHEQHOWXUMO-HUUCEWRRSA-N 2 2 330.432 1.388 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)CC1 ZINC000490852845 447900018 /nfs/dbraw/zinc/90/00/18/447900018.db2.gz OHYBWUAVOJUGRH-INIZCTEOSA-N 2 2 329.444 1.553 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](C)c2cccc(O)c2)CC1 ZINC000490852845 447900022 /nfs/dbraw/zinc/90/00/22/447900022.db2.gz OHYBWUAVOJUGRH-INIZCTEOSA-N 2 2 329.444 1.553 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000491209366 447958340 /nfs/dbraw/zinc/95/83/40/447958340.db2.gz GDZWLRRVSHUHIX-HIFRSBDPSA-N 2 2 344.286 1.280 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000491209366 447958345 /nfs/dbraw/zinc/95/83/45/447958345.db2.gz GDZWLRRVSHUHIX-HIFRSBDPSA-N 2 2 344.286 1.280 20 30 EDEDLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000570714888 448053532 /nfs/dbraw/zinc/05/35/32/448053532.db2.gz WBECKMJGRBEJLR-GOSISDBHSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000491805421 448133609 /nfs/dbraw/zinc/13/36/09/448133609.db2.gz OMPUBYKBWAWTQW-MRXNPFEDSA-N 2 2 331.435 1.466 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000491805421 448133615 /nfs/dbraw/zinc/13/36/15/448133615.db2.gz OMPUBYKBWAWTQW-MRXNPFEDSA-N 2 2 331.435 1.466 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591358546 448341380 /nfs/dbraw/zinc/34/13/80/448341380.db2.gz DPBKWQUWUODRTK-SFHVURJKSA-N 2 2 341.459 1.528 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564699600 448336090 /nfs/dbraw/zinc/33/60/90/448336090.db2.gz KEVYMIAFSZVNKM-AWEZNQCLSA-N 2 2 330.436 1.263 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000578770141 448634358 /nfs/dbraw/zinc/63/43/58/448634358.db2.gz LXTASIFPAFGDQQ-GUDVDZBRSA-N 2 2 326.444 1.903 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000578770141 448634360 /nfs/dbraw/zinc/63/43/60/448634360.db2.gz LXTASIFPAFGDQQ-GUDVDZBRSA-N 2 2 326.444 1.903 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000518757894 448705492 /nfs/dbraw/zinc/70/54/92/448705492.db2.gz NEZBIVJJJHUHFI-IAGOWNOFSA-N 2 2 340.427 1.856 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597989343 449172965 /nfs/dbraw/zinc/17/29/65/449172965.db2.gz DXXZTEMYXROBDG-SFHVURJKSA-N 2 2 341.459 1.240 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597989343 449172969 /nfs/dbraw/zinc/17/29/69/449172969.db2.gz DXXZTEMYXROBDG-SFHVURJKSA-N 2 2 341.459 1.240 20 30 EDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593321932 449225756 /nfs/dbraw/zinc/22/57/56/449225756.db2.gz JPNWNBSVFFGBPL-UZLBHIALSA-N 2 2 342.487 1.879 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602462483 449607534 /nfs/dbraw/zinc/60/75/34/449607534.db2.gz POQJHWAETDZWOX-UHFFFAOYSA-N 2 2 341.459 1.329 20 30 EDEDLP N#Cc1ccncc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597129490 449828880 /nfs/dbraw/zinc/82/88/80/449828880.db2.gz KKQYQVUPDBUBHV-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000730278251 578638446 /nfs/dbraw/zinc/63/84/46/578638446.db2.gz LRAUOVBAYWWUSD-KRWDZBQOSA-N 2 2 326.444 1.786 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000730278251 578638447 /nfs/dbraw/zinc/63/84/47/578638447.db2.gz LRAUOVBAYWWUSD-KRWDZBQOSA-N 2 2 326.444 1.786 20 30 EDEDLP Cc1[nH+]cc(C=NNC(=S)NCCC[NH+](C)C)n1-c1ccccc1 ZINC000755723996 579933503 /nfs/dbraw/zinc/93/35/03/579933503.db2.gz XWSHMNLYPZLHDK-UHFFFAOYSA-N 2 2 344.488 1.930 20 30 EDEDLP N#Cc1cccn(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1=O ZINC000758231852 579977846 /nfs/dbraw/zinc/97/78/46/579977846.db2.gz OGEGZJSNEOPSNR-UHFFFAOYSA-N 2 2 330.432 1.254 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000775081358 580382431 /nfs/dbraw/zinc/38/24/31/580382431.db2.gz AKACRRYQQPTAKP-QGZVFWFLSA-N 2 2 329.444 1.513 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000791606594 580796458 /nfs/dbraw/zinc/79/64/58/580796458.db2.gz VLCHVOZYWJMUBR-IBGZPJMESA-N 2 2 339.483 1.870 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000791606594 580796459 /nfs/dbraw/zinc/79/64/59/580796459.db2.gz VLCHVOZYWJMUBR-IBGZPJMESA-N 2 2 339.483 1.870 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896209086 591387602 /nfs/dbraw/zinc/38/76/02/591387602.db2.gz UAFTUUQJGFYJCV-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896209086 591387606 /nfs/dbraw/zinc/38/76/06/591387606.db2.gz UAFTUUQJGFYJCV-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896209086 591387610 /nfs/dbraw/zinc/38/76/10/591387610.db2.gz UAFTUUQJGFYJCV-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896209086 591387614 /nfs/dbraw/zinc/38/76/14/591387614.db2.gz UAFTUUQJGFYJCV-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000905463357 592542244 /nfs/dbraw/zinc/54/22/44/592542244.db2.gz ZPLIJJLHWCCGHH-MSOLQXFVSA-N 2 2 340.471 1.701 20 30 EDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1 ZINC000905518249 592559172 /nfs/dbraw/zinc/55/91/72/592559172.db2.gz LAEFWAWBOATJSQ-KRWDZBQOSA-N 2 2 326.400 1.549 20 30 EDEDLP C#Cc1ccc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nc1 ZINC000817658864 593620711 /nfs/dbraw/zinc/62/07/11/593620711.db2.gz MDGVAIOSBBFVQN-UHFFFAOYSA-N 2 2 340.471 1.695 20 30 EDEDLP C#Cc1ccc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nc1 ZINC000817658864 593620712 /nfs/dbraw/zinc/62/07/12/593620712.db2.gz MDGVAIOSBBFVQN-UHFFFAOYSA-N 2 2 340.471 1.695 20 30 EDEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823188089 594166708 /nfs/dbraw/zinc/16/67/08/594166708.db2.gz MUXZNWMSSDNSRP-SFHVURJKSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823188089 594166709 /nfs/dbraw/zinc/16/67/09/594166709.db2.gz MUXZNWMSSDNSRP-SFHVURJKSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000823188089 594166710 /nfs/dbraw/zinc/16/67/10/594166710.db2.gz MUXZNWMSSDNSRP-SFHVURJKSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000823188089 594166711 /nfs/dbraw/zinc/16/67/11/594166711.db2.gz MUXZNWMSSDNSRP-SFHVURJKSA-N 2 2 329.444 1.341 20 30 EDEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011541 595121670 /nfs/dbraw/zinc/12/16/70/595121670.db2.gz NISIXUHFPBYRFE-HNNXBMFYSA-N 2 2 330.432 1.183 20 30 EDEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846011541 595121672 /nfs/dbraw/zinc/12/16/72/595121672.db2.gz NISIXUHFPBYRFE-HNNXBMFYSA-N 2 2 330.432 1.183 20 30 EDEDLP CC(C)[N@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000101962867 595281483 /nfs/dbraw/zinc/28/14/83/595281483.db2.gz TZFSXKNBSPJOBL-UHFFFAOYSA-N 2 2 341.459 1.986 20 30 EDEDLP CC(C)[N@@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000101962867 595281485 /nfs/dbraw/zinc/28/14/85/595281485.db2.gz TZFSXKNBSPJOBL-UHFFFAOYSA-N 2 2 341.459 1.986 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000852860921 595581991 /nfs/dbraw/zinc/58/19/91/595581991.db2.gz LIMWUZHJKVXEJX-UHFFFAOYSA-N 2 2 327.428 1.460 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000853153257 595683173 /nfs/dbraw/zinc/68/31/73/595683173.db2.gz JTKOUIHIUHBAGK-UHFFFAOYSA-N 2 2 330.432 1.084 20 30 EDEDLP CO[C@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000853657261 595848065 /nfs/dbraw/zinc/84/80/65/595848065.db2.gz BSACNAJCENWXRW-GOSISDBHSA-N 2 2 347.459 1.971 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869241856 596458360 /nfs/dbraw/zinc/45/83/60/596458360.db2.gz FPLIMCXQEBHCGB-UHFFFAOYSA-N 2 2 327.432 1.653 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869241856 596458362 /nfs/dbraw/zinc/45/83/62/596458362.db2.gz FPLIMCXQEBHCGB-UHFFFAOYSA-N 2 2 327.432 1.653 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000867974759 596640850 /nfs/dbraw/zinc/64/08/50/596640850.db2.gz DNDDEUCEPKMLBC-LPHOPBHVSA-N 2 2 347.422 1.535 20 30 EDEDLP C[N@H+](CCCOc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355117 597896518 /nfs/dbraw/zinc/89/65/18/597896518.db2.gz YNWJDTFPPUEECD-UHFFFAOYSA-N 2 2 330.432 1.033 20 30 EDEDLP C[N@@H+](CCCOc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355117 597896519 /nfs/dbraw/zinc/89/65/19/597896519.db2.gz YNWJDTFPPUEECD-UHFFFAOYSA-N 2 2 330.432 1.033 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]21 ZINC000992846208 695404945 /nfs/dbraw/zinc/40/49/45/695404945.db2.gz CXMMFSNPVSHYRQ-CGTJXYLNSA-N 2 2 349.438 1.731 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335877 695991685 /nfs/dbraw/zinc/99/16/85/695991685.db2.gz KTXITRDIEZGZGI-NVXWUHKLSA-N 2 2 328.460 1.754 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335877 695991687 /nfs/dbraw/zinc/99/16/87/695991687.db2.gz KTXITRDIEZGZGI-NVXWUHKLSA-N 2 2 328.460 1.754 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939216655 699388895 /nfs/dbraw/zinc/38/88/95/699388895.db2.gz XBTHLUOQCIQTFW-PXAZEXFGSA-N 2 2 341.390 1.600 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995251741 702980199 /nfs/dbraw/zinc/98/01/99/702980199.db2.gz QNLWMQJOOQLULY-QZTJIDSGSA-N 2 2 337.427 1.829 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945089089 705041735 /nfs/dbraw/zinc/04/17/35/705041735.db2.gz FIRMOMSURZIRIW-GOEBONIOSA-N 2 2 331.485 1.566 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945089089 705041741 /nfs/dbraw/zinc/04/17/41/705041741.db2.gz FIRMOMSURZIRIW-GOEBONIOSA-N 2 2 331.485 1.566 20 30 EDEDLP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945089089 705041753 /nfs/dbraw/zinc/04/17/53/705041753.db2.gz FIRMOMSURZIRIW-GOEBONIOSA-N 2 2 331.485 1.566 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998257974 705621888 /nfs/dbraw/zinc/62/18/88/705621888.db2.gz FPRXRUCNMKTOST-VXGBXAGGSA-N 2 2 330.354 1.897 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998280079 705668004 /nfs/dbraw/zinc/66/80/04/705668004.db2.gz ZPRRIWBEWJKNPO-OLZOCXBDSA-N 2 2 328.338 1.275 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999029686 706466856 /nfs/dbraw/zinc/46/68/56/706466856.db2.gz VEAVOKLFWDGCDR-UHFFFAOYSA-N 2 2 326.828 1.681 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033476045 707966512 /nfs/dbraw/zinc/96/65/12/707966512.db2.gz YUGLJSIDWCKCJO-KRWDZBQOSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033476045 707966515 /nfs/dbraw/zinc/96/65/15/707966515.db2.gz YUGLJSIDWCKCJO-KRWDZBQOSA-N 2 2 333.476 1.187 20 30 EDEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664438 708445712 /nfs/dbraw/zinc/44/57/12/708445712.db2.gz GUZONSISWBHNFB-MAUKXSAKSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664438 708445715 /nfs/dbraw/zinc/44/57/15/708445715.db2.gz GUZONSISWBHNFB-MAUKXSAKSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664438 708445717 /nfs/dbraw/zinc/44/57/17/708445717.db2.gz GUZONSISWBHNFB-MAUKXSAKSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664438 708445720 /nfs/dbraw/zinc/44/57/20/708445720.db2.gz GUZONSISWBHNFB-MAUKXSAKSA-N 2 2 344.434 1.682 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)on3)C2)CC1 ZINC001033689413 708519427 /nfs/dbraw/zinc/51/94/27/708519427.db2.gz YLACTNHVZPHNMM-GOSISDBHSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)CC1 ZINC001033689413 708519430 /nfs/dbraw/zinc/51/94/30/708519430.db2.gz YLACTNHVZPHNMM-GOSISDBHSA-N 2 2 344.459 1.361 20 30 EDEDLP CC#CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408425 708916309 /nfs/dbraw/zinc/91/63/09/708916309.db2.gz YWXFCCQGADSVLH-SFHVURJKSA-N 2 2 343.475 1.736 20 30 EDEDLP CC#CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408425 708916311 /nfs/dbraw/zinc/91/63/11/708916311.db2.gz YWXFCCQGADSVLH-SFHVURJKSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001032827119 709290903 /nfs/dbraw/zinc/29/09/03/709290903.db2.gz BPDUBVNSUIUOAY-KSZLIROESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001032827119 709290906 /nfs/dbraw/zinc/29/09/06/709290906.db2.gz BPDUBVNSUIUOAY-KSZLIROESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC001032827119 709290910 /nfs/dbraw/zinc/29/09/10/709290910.db2.gz BPDUBVNSUIUOAY-KSZLIROESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC001032827119 709290913 /nfs/dbraw/zinc/29/09/13/709290913.db2.gz BPDUBVNSUIUOAY-KSZLIROESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475962 711855307 /nfs/dbraw/zinc/85/53/07/711855307.db2.gz VZQJTLXMOBDPMF-MSOLQXFVSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475962 711855308 /nfs/dbraw/zinc/85/53/08/711855308.db2.gz VZQJTLXMOBDPMF-MSOLQXFVSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004550597 711962064 /nfs/dbraw/zinc/96/20/64/711962064.db2.gz FWLJMPGOHCNSEP-KZNAEPCWSA-N 2 2 340.471 1.860 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004550597 711962066 /nfs/dbraw/zinc/96/20/66/711962066.db2.gz FWLJMPGOHCNSEP-KZNAEPCWSA-N 2 2 340.471 1.860 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561042794 306281828 /nfs/dbraw/zinc/28/18/28/306281828.db2.gz NLAXKLATHSLKTA-MRXNPFEDSA-N 2 2 326.444 1.544 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561042794 306281829 /nfs/dbraw/zinc/28/18/29/306281829.db2.gz NLAXKLATHSLKTA-MRXNPFEDSA-N 2 2 326.444 1.544 20 30 EDEDLP N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000563628030 306342788 /nfs/dbraw/zinc/34/27/88/306342788.db2.gz CKFYKMOHWNTZRF-UHFFFAOYSA-N 2 2 335.371 1.654 20 30 EDEDLP N#CCc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000343563437 250012859 /nfs/dbraw/zinc/01/28/59/250012859.db2.gz ZBFZOIWKQPGRGD-UHFFFAOYSA-N 2 2 326.444 1.493 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000363009094 250184366 /nfs/dbraw/zinc/18/43/66/250184366.db2.gz MAIXSELWZBNLJV-UHFFFAOYSA-N 2 2 340.431 1.717 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000424159144 252149171 /nfs/dbraw/zinc/14/91/71/252149171.db2.gz UXRHBHDSTMRHGP-INIZCTEOSA-N 2 2 325.416 1.763 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC000490778225 255106662 /nfs/dbraw/zinc/10/66/62/255106662.db2.gz BWYQXDHROMAHNK-SFHVURJKSA-N 2 2 341.455 1.262 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC000490778225 255106664 /nfs/dbraw/zinc/10/66/64/255106664.db2.gz BWYQXDHROMAHNK-SFHVURJKSA-N 2 2 341.455 1.262 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCc2ccc(OC)cc2)CC1 ZINC000490781081 255106933 /nfs/dbraw/zinc/10/69/33/255106933.db2.gz VPYHAMYTSZGMQH-UHFFFAOYSA-N 2 2 343.471 1.337 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCc2ccc(OC)cc2)CC1 ZINC000490781081 255106935 /nfs/dbraw/zinc/10/69/35/255106935.db2.gz VPYHAMYTSZGMQH-UHFFFAOYSA-N 2 2 343.471 1.337 20 30 EDEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000333515566 141330117 /nfs/dbraw/zinc/33/01/17/141330117.db2.gz JTCCIEATHJYYBL-HUUCEWRRSA-N 2 2 329.448 1.669 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)s1 ZINC000369972434 155260229 /nfs/dbraw/zinc/26/02/29/155260229.db2.gz FZPHQVWILQVILU-INIZCTEOSA-N 2 2 348.472 1.033 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369598708 155104061 /nfs/dbraw/zinc/10/40/61/155104061.db2.gz BTWKZUWGJCIYOE-CEXWTWQISA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369598708 155104064 /nfs/dbraw/zinc/10/40/64/155104064.db2.gz BTWKZUWGJCIYOE-CEXWTWQISA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369598708 155104067 /nfs/dbraw/zinc/10/40/67/155104067.db2.gz BTWKZUWGJCIYOE-CEXWTWQISA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369598708 155104069 /nfs/dbraw/zinc/10/40/69/155104069.db2.gz BTWKZUWGJCIYOE-CEXWTWQISA-N 2 2 338.455 1.591 20 30 EDEDLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000360326484 298154312 /nfs/dbraw/zinc/15/43/12/298154312.db2.gz HDGJFTNQJJOXQO-HNNXBMFYSA-N 2 2 328.460 1.804 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000057155230 441093358 /nfs/dbraw/zinc/09/33/58/441093358.db2.gz IISAPXTUGCQNBP-UHFFFAOYSA-N 2 2 326.444 1.643 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081624064 441297196 /nfs/dbraw/zinc/29/71/96/441297196.db2.gz IAHSENBZEHUCLO-LJQANCHMSA-N 2 2 343.446 1.958 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081624064 441297199 /nfs/dbraw/zinc/29/71/99/441297199.db2.gz IAHSENBZEHUCLO-LJQANCHMSA-N 2 2 343.446 1.958 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(C#N)cc1 ZINC000112921448 441568086 /nfs/dbraw/zinc/56/80/86/441568086.db2.gz ZQKIAHLFZDIGDW-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccc(C#N)cc1 ZINC000112921448 441568090 /nfs/dbraw/zinc/56/80/90/441568090.db2.gz ZQKIAHLFZDIGDW-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CO[C@@H](C)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000181634759 442707486 /nfs/dbraw/zinc/70/74/86/442707486.db2.gz HGKFRGZNAXNXLR-INIZCTEOSA-N 2 2 334.464 1.518 20 30 EDEDLP CO[C@@H](C)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000181634759 442707488 /nfs/dbraw/zinc/70/74/88/442707488.db2.gz HGKFRGZNAXNXLR-INIZCTEOSA-N 2 2 334.464 1.518 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)s1 ZINC000183331616 442921868 /nfs/dbraw/zinc/92/18/68/442921868.db2.gz KGYLZNNBJKTDLB-ZIAGYGMSSA-N 2 2 348.472 1.203 20 30 EDEDLP NC(=NOCC[NH+]1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000190091713 443055670 /nfs/dbraw/zinc/05/56/70/443055670.db2.gz ZSANJWFZHZOUPC-UHFFFAOYSA-N 2 2 346.475 1.642 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCS[C@H](C(C)C)C1 ZINC000261669178 443163585 /nfs/dbraw/zinc/16/35/85/443163585.db2.gz BVUNMYOGICELGX-AWEZNQCLSA-N 2 2 338.525 1.635 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000279786760 443629230 /nfs/dbraw/zinc/62/92/30/443629230.db2.gz LUXBDHDYNLETPA-UHFFFAOYSA-N 2 2 346.381 1.790 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000565534199 321189625 /nfs/dbraw/zinc/18/96/25/321189625.db2.gz BCICVOLNGMDTET-UHFFFAOYSA-N 2 2 347.484 1.796 20 30 EDEDLP CCOCCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303778833 444237599 /nfs/dbraw/zinc/23/75/99/444237599.db2.gz JYUBZUCRGIXIHF-UHFFFAOYSA-N 2 2 326.485 1.352 20 30 EDEDLP Cn1cc(C[NH+]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000329138456 444482032 /nfs/dbraw/zinc/48/20/32/444482032.db2.gz DUNINPAKHOGUPX-UHFFFAOYSA-N 2 2 346.479 1.079 20 30 EDEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329951179 444783302 /nfs/dbraw/zinc/78/33/02/444783302.db2.gz MGLVEQXHKXKSPH-HUUCEWRRSA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329951179 444783303 /nfs/dbraw/zinc/78/33/03/444783303.db2.gz MGLVEQXHKXKSPH-HUUCEWRRSA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329951179 444783308 /nfs/dbraw/zinc/78/33/08/444783308.db2.gz MGLVEQXHKXKSPH-HUUCEWRRSA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329951179 444783311 /nfs/dbraw/zinc/78/33/11/444783311.db2.gz MGLVEQXHKXKSPH-HUUCEWRRSA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](C)CC1 ZINC000330053948 444826447 /nfs/dbraw/zinc/82/64/47/444826447.db2.gz REOIELYIWFLBNM-MRXNPFEDSA-N 2 2 345.491 1.638 20 30 EDEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282019 445338232 /nfs/dbraw/zinc/33/82/32/445338232.db2.gz ODZBDWGEUGVOQK-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282019 445338235 /nfs/dbraw/zinc/33/82/35/445338235.db2.gz ODZBDWGEUGVOQK-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282019 445338238 /nfs/dbraw/zinc/33/82/38/445338238.db2.gz ODZBDWGEUGVOQK-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348282019 445338240 /nfs/dbraw/zinc/33/82/40/445338240.db2.gz ODZBDWGEUGVOQK-IBGZPJMESA-N 2 2 340.471 1.838 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000354851377 445425508 /nfs/dbraw/zinc/42/55/08/445425508.db2.gz FUQORPJEDCBNKY-IAGOWNOFSA-N 2 2 327.407 1.994 20 30 EDEDLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369188321 445978636 /nfs/dbraw/zinc/97/86/36/445978636.db2.gz MHEAQJLYDNVTDG-QGZVFWFLSA-N 2 2 326.444 1.765 20 30 EDEDLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000369188321 445978638 /nfs/dbraw/zinc/97/86/38/445978638.db2.gz MHEAQJLYDNVTDG-QGZVFWFLSA-N 2 2 326.444 1.765 20 30 EDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@H]21 ZINC000366212223 446085146 /nfs/dbraw/zinc/08/51/46/446085146.db2.gz VVMCURKFFGCSIX-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@H]21 ZINC000366212223 446085155 /nfs/dbraw/zinc/08/51/55/446085155.db2.gz VVMCURKFFGCSIX-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@H]21 ZINC000366212223 446085161 /nfs/dbraw/zinc/08/51/61/446085161.db2.gz VVMCURKFFGCSIX-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@H]21 ZINC000366212223 446085168 /nfs/dbraw/zinc/08/51/68/446085168.db2.gz VVMCURKFFGCSIX-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000370016748 446175048 /nfs/dbraw/zinc/17/50/48/446175048.db2.gz IJQYZTKJHKJSBF-UHFFFAOYSA-N 2 2 346.519 1.151 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[NH+](CC#CCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366512257 446244557 /nfs/dbraw/zinc/24/45/57/446244557.db2.gz AHLSMANGPXCZAF-WOJBJXKFSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@@]2(CC[NH+](CC#CCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512257 446244560 /nfs/dbraw/zinc/24/45/60/446244560.db2.gz AHLSMANGPXCZAF-WOJBJXKFSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@@]2(CCN(CC#CC[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366512257 446244563 /nfs/dbraw/zinc/24/45/63/446244563.db2.gz AHLSMANGPXCZAF-WOJBJXKFSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@@]2(CCN(CC#CC[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366512257 446244566 /nfs/dbraw/zinc/24/45/66/446244566.db2.gz AHLSMANGPXCZAF-WOJBJXKFSA-N 3 2 330.520 1.045 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983473 447191058 /nfs/dbraw/zinc/19/10/58/447191058.db2.gz DCYOIMZKUTYRFL-HLIPFELVSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983473 447191067 /nfs/dbraw/zinc/19/10/67/447191067.db2.gz DCYOIMZKUTYRFL-HLIPFELVSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375983473 447191075 /nfs/dbraw/zinc/19/10/75/447191075.db2.gz DCYOIMZKUTYRFL-HLIPFELVSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375983473 447191081 /nfs/dbraw/zinc/19/10/81/447191081.db2.gz DCYOIMZKUTYRFL-HLIPFELVSA-N 2 2 342.487 1.956 20 30 EDEDLP Cc1c(C[NH+](C)CC#CC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000551735008 447906560 /nfs/dbraw/zinc/90/65/60/447906560.db2.gz CAGHGVGZOJUISX-UHFFFAOYSA-N 2 2 328.464 1.338 20 30 EDEDLP Cc1c(C[NH+](C)CC#CC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000551735008 447906563 /nfs/dbraw/zinc/90/65/63/447906563.db2.gz CAGHGVGZOJUISX-UHFFFAOYSA-N 2 2 328.464 1.338 20 30 EDEDLP C=CCn1cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000570155596 447955338 /nfs/dbraw/zinc/95/53/38/447955338.db2.gz NVYRWLGVOCYFDK-MRXNPFEDSA-N 2 2 340.431 1.581 20 30 EDEDLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000576271719 448015558 /nfs/dbraw/zinc/01/55/58/448015558.db2.gz IYGWIYLBNNYLSN-AEFFLSMTSA-N 2 2 347.459 1.050 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000570955895 448085416 /nfs/dbraw/zinc/08/54/16/448085416.db2.gz KLOPCOFCMKEDPR-GOSISDBHSA-N 2 2 327.432 1.227 20 30 EDEDLP C[C@@H](c1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1)[NH+]1CCOCC1 ZINC000565653460 448375350 /nfs/dbraw/zinc/37/53/50/448375350.db2.gz DVSGYJHYRNKSDD-QFBILLFUSA-N 2 2 346.475 1.698 20 30 EDEDLP C[C@@H](c1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1)[NH+]1CCOCC1 ZINC000565653460 448375353 /nfs/dbraw/zinc/37/53/53/448375353.db2.gz DVSGYJHYRNKSDD-QFBILLFUSA-N 2 2 346.475 1.698 20 30 EDEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583199816 448427330 /nfs/dbraw/zinc/42/73/30/448427330.db2.gz JKFAAVHLGCOXJU-SOLBZPMBSA-N 2 2 334.460 1.811 20 30 EDEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583199816 448427337 /nfs/dbraw/zinc/42/73/37/448427337.db2.gz JKFAAVHLGCOXJU-SOLBZPMBSA-N 2 2 334.460 1.811 20 30 EDEDLP CC[C@H](CC#N)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000578520447 448568189 /nfs/dbraw/zinc/56/81/89/448568189.db2.gz ZHTIFHXZOJWPMU-MRXNPFEDSA-N 2 2 336.480 1.420 20 30 EDEDLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000567684313 448737378 /nfs/dbraw/zinc/73/73/78/448737378.db2.gz GTYGQTZPKGUHDC-QGZVFWFLSA-N 2 2 349.500 1.899 20 30 EDEDLP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000567684313 448737382 /nfs/dbraw/zinc/73/73/82/448737382.db2.gz GTYGQTZPKGUHDC-QGZVFWFLSA-N 2 2 349.500 1.899 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336918 449023437 /nfs/dbraw/zinc/02/34/37/449023437.db2.gz QWQXXPHSBBCRIK-GJZGRUSLSA-N 2 2 329.448 1.769 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336918 449023439 /nfs/dbraw/zinc/02/34/39/449023439.db2.gz QWQXXPHSBBCRIK-GJZGRUSLSA-N 2 2 329.448 1.769 20 30 EDEDLP C[C@H](CCC#N)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000589821339 449064119 /nfs/dbraw/zinc/06/41/19/449064119.db2.gz OOUZAIBOZAXFDX-MRXNPFEDSA-N 2 2 344.463 1.375 20 30 EDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602099154 449344182 /nfs/dbraw/zinc/34/41/82/449344182.db2.gz WCAUBLVPYWKZCQ-LLVKDONJSA-N 2 2 329.326 1.481 20 30 EDEDLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597188088 449863305 /nfs/dbraw/zinc/86/33/05/449863305.db2.gz TWYSAWZXNYTSMP-ZWKOTPCHSA-N 2 2 343.427 1.443 20 30 EDEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)cc1 ZINC000602865189 449875011 /nfs/dbraw/zinc/87/50/11/449875011.db2.gz XLYQJDSIPFSGAJ-QGZVFWFLSA-N 2 2 328.460 1.921 20 30 EDEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)cc1 ZINC000602865189 449875016 /nfs/dbraw/zinc/87/50/16/449875016.db2.gz XLYQJDSIPFSGAJ-QGZVFWFLSA-N 2 2 328.460 1.921 20 30 EDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599320078 449889500 /nfs/dbraw/zinc/88/95/00/449889500.db2.gz QMYUSTKXZOMEHC-QGZVFWFLSA-N 2 2 344.459 1.583 20 30 EDEDLP C=C[C@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718326 450318516 /nfs/dbraw/zinc/31/85/16/450318516.db2.gz IWJDDVUEXMMTKB-GOSISDBHSA-N 3 2 337.508 1.842 20 30 EDEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718326 450318519 /nfs/dbraw/zinc/31/85/19/450318519.db2.gz IWJDDVUEXMMTKB-GOSISDBHSA-N 3 2 337.508 1.842 20 30 EDEDLP C=C[C@H](C(=O)OC)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718326 450318521 /nfs/dbraw/zinc/31/85/21/450318521.db2.gz IWJDDVUEXMMTKB-GOSISDBHSA-N 2 2 337.508 1.842 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631065345 451564427 /nfs/dbraw/zinc/56/44/27/451564427.db2.gz SZPZEJMSVPECEJ-UHFFFAOYSA-N 2 2 343.880 1.727 20 30 EDEDLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519744 535966244 /nfs/dbraw/zinc/96/62/44/535966244.db2.gz IWQJGLMCILMDGZ-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245519744 535966249 /nfs/dbraw/zinc/96/62/49/535966249.db2.gz IWQJGLMCILMDGZ-AEFFLSMTSA-N 2 2 326.444 1.937 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000732067413 578689121 /nfs/dbraw/zinc/68/91/21/578689121.db2.gz PKWOJLGYHPAPAU-UHFFFAOYSA-N 2 2 341.455 1.300 20 30 EDEDLP CC(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000755671388 579932179 /nfs/dbraw/zinc/93/21/79/579932179.db2.gz XLKUNCZETDTWOC-QGZVFWFLSA-N 2 2 338.496 1.331 20 30 EDEDLP CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000755671388 579932180 /nfs/dbraw/zinc/93/21/80/579932180.db2.gz XLKUNCZETDTWOC-QGZVFWFLSA-N 2 2 338.496 1.331 20 30 EDEDLP CC(C)C[NH+](CCC#N)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000755671388 579932181 /nfs/dbraw/zinc/93/21/81/579932181.db2.gz XLKUNCZETDTWOC-QGZVFWFLSA-N 2 2 338.496 1.331 20 30 EDEDLP CC(C)C[NH+](CCC#N)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000755671388 579932182 /nfs/dbraw/zinc/93/21/82/579932182.db2.gz XLKUNCZETDTWOC-QGZVFWFLSA-N 2 2 338.496 1.331 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000765816173 580151876 /nfs/dbraw/zinc/15/18/76/580151876.db2.gz XKSQLKYMZVOENP-QRQLOZEOSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000765816173 580151877 /nfs/dbraw/zinc/15/18/77/580151877.db2.gz XKSQLKYMZVOENP-QRQLOZEOSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000765816173 580151878 /nfs/dbraw/zinc/15/18/78/580151878.db2.gz XKSQLKYMZVOENP-QRQLOZEOSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000765816173 580151879 /nfs/dbraw/zinc/15/18/79/580151879.db2.gz XKSQLKYMZVOENP-QRQLOZEOSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000767019057 580179664 /nfs/dbraw/zinc/17/96/64/580179664.db2.gz DXPUHMVWDLWUSF-SJORKVTESA-N 2 2 335.492 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000767019057 580179665 /nfs/dbraw/zinc/17/96/65/580179665.db2.gz DXPUHMVWDLWUSF-SJORKVTESA-N 2 2 335.492 1.289 20 30 EDEDLP COC[C@@H](C)NC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771556292 580288876 /nfs/dbraw/zinc/28/88/76/580288876.db2.gz YSZNSYQXVPNUOB-CQSZACIVSA-N 2 2 349.504 1.271 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775828696 580402064 /nfs/dbraw/zinc/40/20/64/580402064.db2.gz UTDOJEUVRWRMRJ-MRXNPFEDSA-N 2 2 328.460 1.181 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000796616729 580958233 /nfs/dbraw/zinc/95/82/33/580958233.db2.gz BEKWMVJGOMDLEZ-MJGOQNOKSA-N 2 2 325.456 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000796616729 580958234 /nfs/dbraw/zinc/95/82/34/580958234.db2.gz BEKWMVJGOMDLEZ-MJGOQNOKSA-N 2 2 325.456 1.847 20 30 EDEDLP CN(C(=O)c1ccsc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906655175 592237624 /nfs/dbraw/zinc/23/76/24/592237624.db2.gz MSHYASUKBVQTBC-AWEZNQCLSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1ccsc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906655175 592237625 /nfs/dbraw/zinc/23/76/25/592237625.db2.gz MSHYASUKBVQTBC-AWEZNQCLSA-N 2 2 332.473 1.860 20 30 EDEDLP COCC1(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000812304984 593495556 /nfs/dbraw/zinc/49/55/56/593495556.db2.gz WQZZTHTZQAAUJK-UHFFFAOYSA-N 2 2 347.459 1.972 20 30 EDEDLP NC(=[NH+]OCCOCC1CCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025678 595004905 /nfs/dbraw/zinc/00/49/05/595004905.db2.gz ZRNGMBWNPQATBL-UHFFFAOYSA-N 2 2 347.459 1.972 20 30 EDEDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cn2c1 ZINC000844195257 595299343 /nfs/dbraw/zinc/29/93/43/595299343.db2.gz TWXWOADBFHHTCM-JSGCOSHPSA-N 2 2 329.429 1.104 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000846834489 595323436 /nfs/dbraw/zinc/32/34/36/595323436.db2.gz BGRPAKMMLDWHTI-CQSZACIVSA-N 2 2 348.410 1.643 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000846834489 595323438 /nfs/dbraw/zinc/32/34/38/595323438.db2.gz BGRPAKMMLDWHTI-CQSZACIVSA-N 2 2 348.410 1.643 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sccc3CC#N)C2)CC1 ZINC000865751329 596670593 /nfs/dbraw/zinc/67/05/93/596670593.db2.gz XYGMYYJBKXPPLV-AWEZNQCLSA-N 2 2 332.473 1.712 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sccc3CC#N)C2)CC1 ZINC000865751329 596670594 /nfs/dbraw/zinc/67/05/94/596670594.db2.gz XYGMYYJBKXPPLV-AWEZNQCLSA-N 2 2 332.473 1.712 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876280878 597160037 /nfs/dbraw/zinc/16/00/37/597160037.db2.gz OJLFKEWLVAJPCT-SFHVURJKSA-N 2 2 343.475 1.208 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876280878 597160038 /nfs/dbraw/zinc/16/00/38/597160038.db2.gz OJLFKEWLVAJPCT-SFHVURJKSA-N 2 2 343.475 1.208 20 30 EDEDLP N#Cc1ccccc1NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000878963705 597768167 /nfs/dbraw/zinc/76/81/67/597768167.db2.gz PKOBJKRETUMEBM-GOSISDBHSA-N 2 2 328.460 1.891 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC000992732442 695247682 /nfs/dbraw/zinc/24/76/82/695247682.db2.gz WEJDIUNUKCIKPK-GVDBMIGSSA-N 2 2 328.460 1.777 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993827308 696396121 /nfs/dbraw/zinc/39/61/21/696396121.db2.gz SSBLKHUCBZFIQQ-GDBMZVCRSA-N 2 2 330.432 1.486 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993827308 696396123 /nfs/dbraw/zinc/39/61/23/696396123.db2.gz SSBLKHUCBZFIQQ-GDBMZVCRSA-N 2 2 330.432 1.486 20 30 EDEDLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994507641 696946170 /nfs/dbraw/zinc/94/61/70/696946170.db2.gz OAMAPLVPIXKDNN-YJBOKZPZSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994507641 696946171 /nfs/dbraw/zinc/94/61/71/696946171.db2.gz OAMAPLVPIXKDNN-YJBOKZPZSA-N 2 2 337.427 1.924 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939208497 699354607 /nfs/dbraw/zinc/35/46/07/699354607.db2.gz CRRMQSNVOGYZFF-CABZTGNLSA-N 2 2 327.226 1.297 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031921139 701061141 /nfs/dbraw/zinc/06/11/41/701061141.db2.gz YNUABDCUGVWWGD-GOSISDBHSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031921139 701061143 /nfs/dbraw/zinc/06/11/43/701061143.db2.gz YNUABDCUGVWWGD-GOSISDBHSA-N 2 2 335.492 1.644 20 30 EDEDLP C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809034 701200636 /nfs/dbraw/zinc/20/06/36/701200636.db2.gz RHWVPWMUKSZTHI-HKUYNNGSSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809034 701200639 /nfs/dbraw/zinc/20/06/39/701200639.db2.gz RHWVPWMUKSZTHI-HKUYNNGSSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810935 701203927 /nfs/dbraw/zinc/20/39/27/701203927.db2.gz ZFGNJTSFGOZETC-MAUKXSAKSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810935 701203928 /nfs/dbraw/zinc/20/39/28/701203928.db2.gz ZFGNJTSFGOZETC-MAUKXSAKSA-N 2 2 337.427 1.782 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997183167 703468546 /nfs/dbraw/zinc/46/85/46/703468546.db2.gz DGTDJVRDUKLFIF-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000921628056 703772478 /nfs/dbraw/zinc/77/24/78/703772478.db2.gz BZTNUSZVTZTOGO-INIZCTEOSA-N 2 2 341.459 1.399 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922629626 704160326 /nfs/dbraw/zinc/16/03/26/704160326.db2.gz XNPAMLQYLRTJFU-UHFFFAOYSA-N 2 2 329.448 1.623 20 30 EDEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976653 705120319 /nfs/dbraw/zinc/12/03/19/705120319.db2.gz NPRBLSGAOWKVFG-QZTJIDSGSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976653 705120320 /nfs/dbraw/zinc/12/03/20/705120320.db2.gz NPRBLSGAOWKVFG-QZTJIDSGSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997976653 705120323 /nfs/dbraw/zinc/12/03/23/705120323.db2.gz NPRBLSGAOWKVFG-QZTJIDSGSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976653 705120325 /nfs/dbraw/zinc/12/03/25/705120325.db2.gz NPRBLSGAOWKVFG-QZTJIDSGSA-N 2 2 337.508 1.986 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000999318372 706826335 /nfs/dbraw/zinc/82/63/35/706826335.db2.gz RXVZRZYWNRWXJD-SFHVURJKSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000999318372 706826337 /nfs/dbraw/zinc/82/63/37/706826337.db2.gz RXVZRZYWNRWXJD-SFHVURJKSA-N 2 2 337.427 1.995 20 30 EDEDLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000999605046 707069545 /nfs/dbraw/zinc/06/95/45/707069545.db2.gz DGIKEOZXCWZZIQ-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ocnc2C)CC1 ZINC001032800661 708083376 /nfs/dbraw/zinc/08/33/76/708083376.db2.gz SUYQBOMGMPLOOG-IRXDYDNUSA-N 2 2 342.443 1.113 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ocnc2C)CC1 ZINC001032800661 708083378 /nfs/dbraw/zinc/08/33/78/708083378.db2.gz SUYQBOMGMPLOOG-IRXDYDNUSA-N 2 2 342.443 1.113 20 30 EDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553465 708217661 /nfs/dbraw/zinc/21/76/61/708217661.db2.gz CWVHRVLWYXWGOZ-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553465 708217664 /nfs/dbraw/zinc/21/76/64/708217664.db2.gz CWVHRVLWYXWGOZ-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002043865 708534631 /nfs/dbraw/zinc/53/46/31/708534631.db2.gz WHEBGPSFNJURLO-UHFFFAOYSA-N 2 2 325.416 1.895 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034246327 709638287 /nfs/dbraw/zinc/63/82/87/709638287.db2.gz DMQXLGUAHBVUKP-MOPGFXCFSA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034246327 709638291 /nfs/dbraw/zinc/63/82/91/709638291.db2.gz DMQXLGUAHBVUKP-MOPGFXCFSA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccn2)C1 ZINC001034246327 709638293 /nfs/dbraw/zinc/63/82/93/709638293.db2.gz DMQXLGUAHBVUKP-MOPGFXCFSA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccccn2)C1 ZINC001034246327 709638297 /nfs/dbraw/zinc/63/82/97/709638297.db2.gz DMQXLGUAHBVUKP-MOPGFXCFSA-N 2 2 340.471 1.650 20 30 EDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329287631 539425546 /nfs/dbraw/zinc/42/55/46/539425546.db2.gz HISSPOAKHGJYIB-NVXWUHKLSA-N 2 2 343.475 1.911 20 30 EDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329287631 539425549 /nfs/dbraw/zinc/42/55/49/539425549.db2.gz HISSPOAKHGJYIB-NVXWUHKLSA-N 2 2 343.475 1.911 20 30 EDEDLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329315326 539428524 /nfs/dbraw/zinc/42/85/24/539428524.db2.gz RYNRESKDERMYBA-SNVBAGLBSA-N 2 2 331.342 1.686 20 30 EDEDLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329315326 539428531 /nfs/dbraw/zinc/42/85/31/539428531.db2.gz RYNRESKDERMYBA-SNVBAGLBSA-N 2 2 331.342 1.686 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)N(C)CCC#N ZINC000353046277 250080626 /nfs/dbraw/zinc/08/06/26/250080626.db2.gz SUFCIOOXBPZUHI-ZIAGYGMSSA-N 2 2 331.464 1.846 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CCC#N ZINC000358706755 250142791 /nfs/dbraw/zinc/14/27/91/250142791.db2.gz CJANTFGVQXWJGU-UHFFFAOYSA-N 2 2 337.512 1.984 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CCC#N ZINC000358706755 250142797 /nfs/dbraw/zinc/14/27/97/250142797.db2.gz CJANTFGVQXWJGU-UHFFFAOYSA-N 2 2 337.512 1.984 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CCN(C3CC[NH+](CCC)CC3)CC2)C1=O ZINC000374152209 250253868 /nfs/dbraw/zinc/25/38/68/250253868.db2.gz WGRWLEKVXCNAEC-GOSISDBHSA-N 2 2 334.508 1.265 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000112731263 220388564 /nfs/dbraw/zinc/38/85/64/220388564.db2.gz AUWYYRMXQVXROQ-QZTJIDSGSA-N 2 2 349.523 1.239 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000490739909 255104408 /nfs/dbraw/zinc/10/44/08/255104408.db2.gz HQYNSGMXZSJNSW-GOSISDBHSA-N 2 2 328.460 1.330 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1 ZINC000490739909 255104410 /nfs/dbraw/zinc/10/44/10/255104410.db2.gz HQYNSGMXZSJNSW-GOSISDBHSA-N 2 2 328.460 1.330 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2OC(C)C)CC1 ZINC000490922013 255109162 /nfs/dbraw/zinc/10/91/62/255109162.db2.gz BOYPNJMKSBCFGB-KRWDZBQOSA-N 2 2 343.471 1.902 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000491681720 255140351 /nfs/dbraw/zinc/14/03/51/255140351.db2.gz OBLWNJKRRCOXBD-RDTXWAMCSA-N 2 2 347.484 1.117 20 30 EDEDLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000272348785 140441047 /nfs/dbraw/zinc/44/10/47/140441047.db2.gz UUAWNTYYHSNIAB-SFHVURJKSA-N 2 2 327.432 1.361 20 30 EDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000363756334 153048161 /nfs/dbraw/zinc/04/81/61/153048161.db2.gz GZNNHKAPAZJWGQ-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000363756334 153048165 /nfs/dbraw/zinc/04/81/65/153048165.db2.gz GZNNHKAPAZJWGQ-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000363756334 153048169 /nfs/dbraw/zinc/04/81/69/153048169.db2.gz GZNNHKAPAZJWGQ-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000363756334 153048172 /nfs/dbraw/zinc/04/81/72/153048172.db2.gz GZNNHKAPAZJWGQ-QZTJIDSGSA-N 2 2 326.444 1.591 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408321491 158330541 /nfs/dbraw/zinc/33/05/41/158330541.db2.gz QXRJBIWYZSBXQA-AWEZNQCLSA-N 2 2 327.432 1.194 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378295393 447415936 /nfs/dbraw/zinc/41/59/36/447415936.db2.gz PTSYQINAQBUJAK-AEFFLSMTSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378295393 447415942 /nfs/dbraw/zinc/41/59/42/447415942.db2.gz PTSYQINAQBUJAK-AEFFLSMTSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378295393 447415948 /nfs/dbraw/zinc/41/59/48/447415948.db2.gz PTSYQINAQBUJAK-AEFFLSMTSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378295393 447415950 /nfs/dbraw/zinc/41/59/50/447415950.db2.gz PTSYQINAQBUJAK-AEFFLSMTSA-N 2 2 349.523 1.095 20 30 EDEDLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052588658 441462852 /nfs/dbraw/zinc/46/28/52/441462852.db2.gz UYZMBVYEVFITOO-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052588658 441462856 /nfs/dbraw/zinc/46/28/56/441462856.db2.gz UYZMBVYEVFITOO-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970682 443177414 /nfs/dbraw/zinc/17/74/14/443177414.db2.gz MSBWQQMBBQCKCH-HUUCEWRRSA-N 2 2 348.495 1.504 20 30 EDEDLP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262021380 443180584 /nfs/dbraw/zinc/18/05/84/443180584.db2.gz YVSWDSJUMQKABF-RKVPGOIHSA-N 2 2 345.447 1.842 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000264193562 443254860 /nfs/dbraw/zinc/25/48/60/443254860.db2.gz QTXWTCBXFWSYLP-UHFFFAOYSA-N 2 2 342.365 1.749 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCc2ccccc2)cc1 ZINC000267008186 443312790 /nfs/dbraw/zinc/31/27/90/443312790.db2.gz KZODEFCQWPMKJQ-UHFFFAOYSA-N 2 2 340.427 1.702 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000328811284 444361294 /nfs/dbraw/zinc/36/12/94/444361294.db2.gz FEJVIFJOZFJTOR-SJORKVTESA-N 3 2 337.512 1.143 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328811284 444361295 /nfs/dbraw/zinc/36/12/95/444361295.db2.gz FEJVIFJOZFJTOR-SJORKVTESA-N 3 2 337.512 1.143 20 30 EDEDLP CO[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000331265059 444459778 /nfs/dbraw/zinc/45/97/78/444459778.db2.gz HDCILOJTROVQPR-HOTGVXAUSA-N 2 2 326.485 1.474 20 30 EDEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329177392 444492969 /nfs/dbraw/zinc/49/29/69/444492969.db2.gz NDQNEODUESEHKW-CQSZACIVSA-N 2 2 334.468 1.139 20 30 EDEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000329362861 444549918 /nfs/dbraw/zinc/54/99/18/444549918.db2.gz JAKTXSZTYIXYBX-AWEZNQCLSA-N 2 2 325.501 1.045 20 30 EDEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000329362861 444549921 /nfs/dbraw/zinc/54/99/21/444549921.db2.gz JAKTXSZTYIXYBX-AWEZNQCLSA-N 2 2 325.501 1.045 20 30 EDEDLP Cc1nn(C)c(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329537120 444620098 /nfs/dbraw/zinc/62/00/98/444620098.db2.gz MDAPSUPWNPVKNJ-UHFFFAOYSA-N 2 2 348.495 1.921 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@@H+]1C ZINC000330081666 444837827 /nfs/dbraw/zinc/83/78/27/444837827.db2.gz GULKUUBMHLOFLF-BZUAXINKSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@H+]1C ZINC000330081666 444837830 /nfs/dbraw/zinc/83/78/30/444837830.db2.gz GULKUUBMHLOFLF-BZUAXINKSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000330081666 444837833 /nfs/dbraw/zinc/83/78/33/444837833.db2.gz GULKUUBMHLOFLF-BZUAXINKSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000330081666 444837836 /nfs/dbraw/zinc/83/78/36/444837836.db2.gz GULKUUBMHLOFLF-BZUAXINKSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337129941 444954275 /nfs/dbraw/zinc/95/42/75/444954275.db2.gz JJGVCHBFFYVSGB-KRWDZBQOSA-N 2 2 328.460 1.397 20 30 EDEDLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337129941 444954279 /nfs/dbraw/zinc/95/42/79/444954279.db2.gz JJGVCHBFFYVSGB-KRWDZBQOSA-N 2 2 328.460 1.397 20 30 EDEDLP C=CCOCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000348026565 445262396 /nfs/dbraw/zinc/26/23/96/445262396.db2.gz DNJJQGQSUNMXDG-UHFFFAOYSA-N 2 2 347.463 1.028 20 30 EDEDLP OC1(C[NH+]2CCOCC2)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000359999035 445521384 /nfs/dbraw/zinc/52/13/84/445521384.db2.gz NIAPQMZMHMGWHN-UHFFFAOYSA-N 2 2 348.874 1.851 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000574688296 448933010 /nfs/dbraw/zinc/93/30/10/448933010.db2.gz PTRCZPZTIIZBIT-UHFFFAOYSA-N 2 2 335.496 1.738 20 30 EDEDLP Cc1onc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528302 449324464 /nfs/dbraw/zinc/32/44/64/449324464.db2.gz FCIAZFWZMSCEQM-OAHLLOKOSA-N 2 2 345.447 1.024 20 30 EDEDLP Cc1onc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528302 449324472 /nfs/dbraw/zinc/32/44/72/449324472.db2.gz FCIAZFWZMSCEQM-OAHLLOKOSA-N 2 2 345.447 1.024 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000600715935 449513624 /nfs/dbraw/zinc/51/36/24/449513624.db2.gz DVPQYIRYPSKTER-KRWDZBQOSA-N 2 2 340.427 1.663 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000594441852 449521335 /nfs/dbraw/zinc/52/13/35/449521335.db2.gz XFQKYNQOWSXRQF-QGZVFWFLSA-N 2 2 330.432 1.869 20 30 EDEDLP COC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C#N)n1 ZINC000594556106 449574231 /nfs/dbraw/zinc/57/42/31/449574231.db2.gz OMQCWVXKCNKDME-ZDUSSCGKSA-N 2 2 343.431 1.320 20 30 EDEDLP COC(=O)c1ccc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C#N)n1 ZINC000594556106 449574237 /nfs/dbraw/zinc/57/42/37/449574237.db2.gz OMQCWVXKCNKDME-ZDUSSCGKSA-N 2 2 343.431 1.320 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594820344 449728345 /nfs/dbraw/zinc/72/83/45/449728345.db2.gz CDCNRVLVPFKPCW-UHFFFAOYSA-N 2 2 344.525 1.263 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594820344 449728350 /nfs/dbraw/zinc/72/83/50/449728350.db2.gz CDCNRVLVPFKPCW-UHFFFAOYSA-N 2 2 344.525 1.263 20 30 EDEDLP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599004982 449692496 /nfs/dbraw/zinc/69/24/96/449692496.db2.gz XZRWWFAQIOWMOQ-LJQANCHMSA-N 2 2 328.460 1.443 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595344366 450057110 /nfs/dbraw/zinc/05/71/10/450057110.db2.gz CRTLIQJWDBLEML-GOSISDBHSA-N 2 2 326.444 1.339 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595344366 450057115 /nfs/dbraw/zinc/05/71/15/450057115.db2.gz CRTLIQJWDBLEML-GOSISDBHSA-N 2 2 326.444 1.339 20 30 EDEDLP C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635576 451909032 /nfs/dbraw/zinc/90/90/32/451909032.db2.gz BVXRKASWYJUERD-INIZCTEOSA-N 2 2 346.479 1.095 20 30 EDEDLP C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635576 451909037 /nfs/dbraw/zinc/90/90/37/451909037.db2.gz BVXRKASWYJUERD-INIZCTEOSA-N 2 2 346.479 1.095 20 30 EDEDLP C=CCOCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000662711143 453434603 /nfs/dbraw/zinc/43/46/03/453434603.db2.gz MNSAITAADQCLRS-KRWDZBQOSA-N 2 2 328.416 1.120 20 30 EDEDLP C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678752579 487359804 /nfs/dbraw/zinc/35/98/04/487359804.db2.gz TYQFZTGEEPCIKC-HNNXBMFYSA-N 2 2 344.459 1.545 20 30 EDEDLP C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678752579 487359807 /nfs/dbraw/zinc/35/98/07/487359807.db2.gz TYQFZTGEEPCIKC-HNNXBMFYSA-N 2 2 344.459 1.545 20 30 EDEDLP CCc1nc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000731445322 578675032 /nfs/dbraw/zinc/67/50/32/578675032.db2.gz JBCWOPDJTOJVRY-UHFFFAOYSA-N 2 2 345.403 1.301 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC000748821086 579702094 /nfs/dbraw/zinc/70/20/94/579702094.db2.gz JRDOXKVUOFXLTJ-GOSISDBHSA-N 2 2 327.472 1.635 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)CC1 ZINC000748821086 579702095 /nfs/dbraw/zinc/70/20/95/579702095.db2.gz JRDOXKVUOFXLTJ-GOSISDBHSA-N 2 2 327.472 1.635 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000793329465 580842265 /nfs/dbraw/zinc/84/22/65/580842265.db2.gz SPMZJNZBKPVWHY-UHFFFAOYSA-N 2 2 340.431 1.004 20 30 EDEDLP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)n2c1 ZINC000897260643 591792696 /nfs/dbraw/zinc/79/26/96/591792696.db2.gz JFBOOBMVXFWILA-MRXNPFEDSA-N 2 2 326.400 1.712 20 30 EDEDLP NC(=[NH+]OC[C@H]1C[C@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227084 591949570 /nfs/dbraw/zinc/94/95/70/591949570.db2.gz VJRZQFBKQKSMQG-MJGOQNOKSA-N 2 2 345.443 1.582 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCOC(C)(C)C2)cc1 ZINC000902717941 592050444 /nfs/dbraw/zinc/05/04/44/592050444.db2.gz WXPBPPNLTVAJJA-UHFFFAOYSA-N 2 2 348.447 1.023 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC(CC(N)=O)C3)CC2)cc1 ZINC000903260719 592148070 /nfs/dbraw/zinc/14/80/70/592148070.db2.gz RCPLKKYHYQRERC-UHFFFAOYSA-N 2 2 326.444 1.766 20 30 EDEDLP CC#CCC[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819213651 593744612 /nfs/dbraw/zinc/74/46/12/593744612.db2.gz NWOVSGFSXBKJSW-SFHVURJKSA-N 2 2 331.460 1.181 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826599897 594537106 /nfs/dbraw/zinc/53/71/06/594537106.db2.gz YHKSIERGBRYKCO-GOSISDBHSA-N 2 2 331.460 1.430 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCCCn3cc[nH+]c3)cc2)CC1 ZINC000848419015 595376118 /nfs/dbraw/zinc/37/61/18/595376118.db2.gz UIAOSAUQFAJNJQ-UHFFFAOYSA-N 3 2 326.448 1.649 20 30 EDEDLP C[NH+](C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000852871472 595590646 /nfs/dbraw/zinc/59/06/46/595590646.db2.gz PDTBQBYMTXBHRH-INIZCTEOSA-N 2 2 335.398 1.687 20 30 EDEDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856600615 596031170 /nfs/dbraw/zinc/03/11/70/596031170.db2.gz VMSIXASBJPGHIS-QGZVFWFLSA-N 2 2 345.447 1.015 20 30 EDEDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856600615 596031175 /nfs/dbraw/zinc/03/11/75/596031175.db2.gz VMSIXASBJPGHIS-QGZVFWFLSA-N 2 2 345.447 1.015 20 30 EDEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856600615 596031177 /nfs/dbraw/zinc/03/11/77/596031177.db2.gz VMSIXASBJPGHIS-QGZVFWFLSA-N 2 2 345.447 1.015 20 30 EDEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856600615 596031180 /nfs/dbraw/zinc/03/11/80/596031180.db2.gz VMSIXASBJPGHIS-QGZVFWFLSA-N 2 2 345.447 1.015 20 30 EDEDLP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852100794 596043778 /nfs/dbraw/zinc/04/37/78/596043778.db2.gz JEKQFYVJPDIWNF-AZUAARDMSA-N 2 2 345.487 1.570 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000868284938 596765093 /nfs/dbraw/zinc/76/50/93/596765093.db2.gz ZHNCGIIUPFVCLX-UHFFFAOYSA-N 2 2 349.523 1.058 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876710617 597297888 /nfs/dbraw/zinc/29/78/88/597297888.db2.gz MMAJRKVXHMXXJF-JKSUJKDBSA-N 2 2 337.851 1.474 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876710617 597297890 /nfs/dbraw/zinc/29/78/90/597297890.db2.gz MMAJRKVXHMXXJF-JKSUJKDBSA-N 2 2 337.851 1.474 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995154219 701556121 /nfs/dbraw/zinc/55/61/21/701556121.db2.gz RNPLSHNALRMQGX-CHWSQXEVSA-N 2 2 343.456 1.960 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852827 700952779 /nfs/dbraw/zinc/95/27/79/700952779.db2.gz FSCNFVHNGKYQNN-INIZCTEOSA-N 2 2 332.448 1.590 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852827 700952781 /nfs/dbraw/zinc/95/27/81/700952781.db2.gz FSCNFVHNGKYQNN-INIZCTEOSA-N 2 2 332.448 1.590 20 30 EDEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437240 701540402 /nfs/dbraw/zinc/54/04/02/701540402.db2.gz XAZRPKAIAYKGHE-KRWDZBQOSA-N 2 2 343.475 1.165 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120441 702285979 /nfs/dbraw/zinc/28/59/79/702285979.db2.gz FACSLCFQIMTLBO-HOCLYGCPSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120441 702285987 /nfs/dbraw/zinc/28/59/87/702285987.db2.gz FACSLCFQIMTLBO-HOCLYGCPSA-N 2 2 325.416 1.894 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997245622 703531442 /nfs/dbraw/zinc/53/14/42/703531442.db2.gz YKKQLOFYWKYMQJ-APWZRJJASA-N 2 2 347.503 1.337 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997245622 703531444 /nfs/dbraw/zinc/53/14/44/703531444.db2.gz YKKQLOFYWKYMQJ-APWZRJJASA-N 2 2 347.503 1.337 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997343714 703574643 /nfs/dbraw/zinc/57/46/43/703574643.db2.gz DJPRZYJAXVILSC-MRXNPFEDSA-N 2 2 341.883 1.430 20 30 EDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540828 704598366 /nfs/dbraw/zinc/59/83/66/704598366.db2.gz RQZIWTOODCIMMB-FHWLQOOXSA-N 2 2 347.503 1.739 20 30 EDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540828 704598368 /nfs/dbraw/zinc/59/83/68/704598368.db2.gz RQZIWTOODCIMMB-FHWLQOOXSA-N 2 2 347.503 1.739 20 30 EDEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001032540828 704598370 /nfs/dbraw/zinc/59/83/70/704598370.db2.gz RQZIWTOODCIMMB-FHWLQOOXSA-N 2 2 347.503 1.739 20 30 EDEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001032540828 704598372 /nfs/dbraw/zinc/59/83/72/704598372.db2.gz RQZIWTOODCIMMB-FHWLQOOXSA-N 2 2 347.503 1.739 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000945181503 705214899 /nfs/dbraw/zinc/21/48/99/705214899.db2.gz NPFJMRASCBHTDG-QAPCUYQASA-N 2 2 344.459 1.346 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000945181503 705214900 /nfs/dbraw/zinc/21/49/00/705214900.db2.gz NPFJMRASCBHTDG-QAPCUYQASA-N 2 2 344.459 1.346 20 30 EDEDLP N#Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC000998181557 705481699 /nfs/dbraw/zinc/48/16/99/705481699.db2.gz GVTOSOWPSIJQIH-UHFFFAOYSA-N 2 2 343.456 1.914 20 30 EDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999788543 707405797 /nfs/dbraw/zinc/40/57/97/707405797.db2.gz CZNMIZBZHDCFKY-HZPDHXFCSA-N 2 2 343.899 1.820 20 30 EDEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999788543 707405800 /nfs/dbraw/zinc/40/58/00/707405800.db2.gz CZNMIZBZHDCFKY-HZPDHXFCSA-N 2 2 343.899 1.820 20 30 EDEDLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC#Cc2ccccc2)C1 ZINC001032730420 707738392 /nfs/dbraw/zinc/73/83/92/707738392.db2.gz DYBANDSUGYBPAM-UFYCRDLUSA-N 2 2 337.467 1.665 20 30 EDEDLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC#Cc2ccccc2)C1 ZINC001032730420 707738395 /nfs/dbraw/zinc/73/83/95/707738395.db2.gz DYBANDSUGYBPAM-UFYCRDLUSA-N 2 2 337.467 1.665 20 30 EDEDLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)C1 ZINC001032730420 707738400 /nfs/dbraw/zinc/73/84/00/707738400.db2.gz DYBANDSUGYBPAM-UFYCRDLUSA-N 2 2 337.467 1.665 20 30 EDEDLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)C1 ZINC001032730420 707738403 /nfs/dbraw/zinc/73/84/03/707738403.db2.gz DYBANDSUGYBPAM-UFYCRDLUSA-N 2 2 337.467 1.665 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)CC1 ZINC001032800646 708083544 /nfs/dbraw/zinc/08/35/44/708083544.db2.gz RNVQHDBCPGZMQB-GJZGRUSLSA-N 2 2 343.393 1.569 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)CC1 ZINC001032800646 708083545 /nfs/dbraw/zinc/08/35/45/708083545.db2.gz RNVQHDBCPGZMQB-GJZGRUSLSA-N 2 2 343.393 1.569 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044877784 708231033 /nfs/dbraw/zinc/23/10/33/708231033.db2.gz ITTKWAVHEGWREH-STQMWFEESA-N 2 2 341.253 1.761 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC001032827156 709291401 /nfs/dbraw/zinc/29/14/01/709291401.db2.gz LMIIYUULDAOJCX-FHWLQOOXSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC001032827156 709291404 /nfs/dbraw/zinc/29/14/04/709291404.db2.gz LMIIYUULDAOJCX-FHWLQOOXSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001032827156 709291408 /nfs/dbraw/zinc/29/14/08/709291408.db2.gz LMIIYUULDAOJCX-FHWLQOOXSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001032827156 709291411 /nfs/dbraw/zinc/29/14/11/709291411.db2.gz LMIIYUULDAOJCX-FHWLQOOXSA-N 2 2 347.503 1.480 20 30 EDEDLP C=CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217832 709574440 /nfs/dbraw/zinc/57/44/40/709574440.db2.gz VZEFVLVOGPSONM-PBHICJAKSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217832 709574443 /nfs/dbraw/zinc/57/44/43/709574443.db2.gz VZEFVLVOGPSONM-PBHICJAKSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217832 709574449 /nfs/dbraw/zinc/57/44/49/709574449.db2.gz VZEFVLVOGPSONM-PBHICJAKSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217832 709574452 /nfs/dbraw/zinc/57/44/52/709574452.db2.gz VZEFVLVOGPSONM-PBHICJAKSA-N 2 2 331.464 1.947 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccns2)CC1 ZINC001003057355 709892921 /nfs/dbraw/zinc/89/29/21/709892921.db2.gz YHDZCSWOJIOOAO-INIZCTEOSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccns2)CC1 ZINC001003057355 709892927 /nfs/dbraw/zinc/89/29/27/709892927.db2.gz YHDZCSWOJIOOAO-INIZCTEOSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC001032837141 710187485 /nfs/dbraw/zinc/18/74/85/710187485.db2.gz LMIIYUULDAOJCX-QYZOEREBSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC001032837141 710187489 /nfs/dbraw/zinc/18/74/89/710187489.db2.gz LMIIYUULDAOJCX-QYZOEREBSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001032837141 710187494 /nfs/dbraw/zinc/18/74/94/710187494.db2.gz LMIIYUULDAOJCX-QYZOEREBSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC001032837141 710187497 /nfs/dbraw/zinc/18/74/97/710187497.db2.gz LMIIYUULDAOJCX-QYZOEREBSA-N 2 2 347.503 1.480 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799253 711135291 /nfs/dbraw/zinc/13/52/91/711135291.db2.gz FWGAHDIYKXISMY-JOCQHMNTSA-N 2 2 341.253 1.809 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001004151250 711568520 /nfs/dbraw/zinc/56/85/20/711568520.db2.gz IZYWLTNIKFZRKH-UHFFFAOYSA-N 2 2 336.439 1.824 20 30 EDEDLP N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482323 711872520 /nfs/dbraw/zinc/87/25/20/711872520.db2.gz QQQJDSRTQVDRBP-QGZVFWFLSA-N 2 2 330.476 1.841 20 30 EDEDLP N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482323 711872521 /nfs/dbraw/zinc/87/25/21/711872521.db2.gz QQQJDSRTQVDRBP-QGZVFWFLSA-N 2 2 330.476 1.841 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609051 712061876 /nfs/dbraw/zinc/06/18/76/712061876.db2.gz DLPQNKMRMMOUAG-GOSISDBHSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609051 712061880 /nfs/dbraw/zinc/06/18/80/712061880.db2.gz DLPQNKMRMMOUAG-GOSISDBHSA-N 2 2 328.460 1.689 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c(F)cccc1C#N ZINC000352845549 149188173 /nfs/dbraw/zinc/18/81/73/149188173.db2.gz XNAVRZFTLLLHAC-UHFFFAOYSA-N 2 2 346.450 1.724 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c(F)cccc1C#N ZINC000352845549 149188175 /nfs/dbraw/zinc/18/81/75/149188175.db2.gz XNAVRZFTLLLHAC-UHFFFAOYSA-N 2 2 346.450 1.724 20 30 EDEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251548 151318387 /nfs/dbraw/zinc/31/83/87/151318387.db2.gz MKGMYDYCXOKUJO-LJQANCHMSA-N 3 2 328.460 1.179 20 30 EDEDLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251548 151318388 /nfs/dbraw/zinc/31/83/88/151318388.db2.gz MKGMYDYCXOKUJO-LJQANCHMSA-N 3 2 328.460 1.179 20 30 EDEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[C@@H]3[NH+]3CCOCC3)n2c1 ZINC000369481076 155052496 /nfs/dbraw/zinc/05/24/96/155052496.db2.gz WDHGVSBEYPUYPO-AEFFLSMTSA-N 2 2 339.443 1.796 20 30 EDEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000297296553 270011227 /nfs/dbraw/zinc/01/12/27/270011227.db2.gz AFFAWORPXLYDBO-LJQANCHMSA-N 2 2 338.455 1.876 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000423192027 270012174 /nfs/dbraw/zinc/01/21/74/270012174.db2.gz VDSJXUBNUVYFSK-UHFFFAOYSA-N 3 2 341.503 1.408 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000418498305 268219887 /nfs/dbraw/zinc/21/98/87/268219887.db2.gz LVXGGALFKIBMBV-KRWDZBQOSA-N 2 2 327.432 1.123 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415781 268299592 /nfs/dbraw/zinc/29/95/92/268299592.db2.gz DZDQZGCTLWPFQS-HZPDHXFCSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415781 268299595 /nfs/dbraw/zinc/29/95/95/268299595.db2.gz DZDQZGCTLWPFQS-HZPDHXFCSA-N 2 2 326.400 1.901 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330614896 276137427 /nfs/dbraw/zinc/13/74/27/276137427.db2.gz BTMRKQCYZAAYCB-IAGOWNOFSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330614896 276137428 /nfs/dbraw/zinc/13/74/28/276137428.db2.gz BTMRKQCYZAAYCB-IAGOWNOFSA-N 2 2 349.523 1.095 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378322903 447417681 /nfs/dbraw/zinc/41/76/81/447417681.db2.gz YAEKJMVTYLQUNJ-ZWKOTPCHSA-N 2 2 336.524 1.369 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378322903 447417685 /nfs/dbraw/zinc/41/76/85/447417685.db2.gz YAEKJMVTYLQUNJ-ZWKOTPCHSA-N 2 2 336.524 1.369 20 30 EDEDLP C=C(Cl)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767701 441465349 /nfs/dbraw/zinc/46/53/49/441465349.db2.gz XYPOWZTUODFFKA-UHFFFAOYSA-N 2 2 328.888 1.988 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752915 441504110 /nfs/dbraw/zinc/50/41/10/441504110.db2.gz UCGJSOPLGQPSFG-GOSISDBHSA-N 2 2 336.524 1.513 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752915 441504113 /nfs/dbraw/zinc/50/41/13/441504113.db2.gz UCGJSOPLGQPSFG-GOSISDBHSA-N 2 2 336.524 1.513 20 30 EDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129136215 442302576 /nfs/dbraw/zinc/30/25/76/442302576.db2.gz ZDTKZSMURIMKHY-KRWDZBQOSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129136215 442302580 /nfs/dbraw/zinc/30/25/80/442302580.db2.gz ZDTKZSMURIMKHY-KRWDZBQOSA-N 2 2 342.443 1.541 20 30 EDEDLP Cn1cc[nH+]c1CN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000156244479 442458535 /nfs/dbraw/zinc/45/85/35/442458535.db2.gz FONJSOWIYNIQMD-UHFFFAOYSA-N 2 2 339.443 1.878 20 30 EDEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C#N ZINC000266200277 443054891 /nfs/dbraw/zinc/05/48/91/443054891.db2.gz KUXFOTXPUXMEPU-QGZVFWFLSA-N 2 2 344.459 1.599 20 30 EDEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C#N ZINC000266200277 443054896 /nfs/dbraw/zinc/05/48/96/443054896.db2.gz KUXFOTXPUXMEPU-QGZVFWFLSA-N 2 2 344.459 1.599 20 30 EDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000271494938 443505582 /nfs/dbraw/zinc/50/55/82/443505582.db2.gz VAWIWXOVSOCJDG-UHFFFAOYSA-N 2 2 343.471 1.990 20 30 EDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000271494938 443505585 /nfs/dbraw/zinc/50/55/85/443505585.db2.gz VAWIWXOVSOCJDG-UHFFFAOYSA-N 2 2 343.471 1.990 20 30 EDEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCN(C)CC1 ZINC000288679823 443953026 /nfs/dbraw/zinc/95/30/26/443953026.db2.gz IOOCWJKCFZTHON-MRXNPFEDSA-N 2 2 339.434 1.963 20 30 EDEDLP NC(=[NH+]OC[C@H]1CNC(=O)O1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000282182991 444107586 /nfs/dbraw/zinc/10/75/86/444107586.db2.gz GINXOSAIZWJELE-OAHLLOKOSA-N 2 2 332.404 1.418 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000572714420 321435935 /nfs/dbraw/zinc/43/59/35/321435935.db2.gz IKPQXBMHTAAXFY-UHFFFAOYSA-N 2 2 344.440 1.819 20 30 EDEDLP CCCCCCNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303888227 444237909 /nfs/dbraw/zinc/23/79/09/444237909.db2.gz OUDADJTWXBNGMI-INIZCTEOSA-N 2 2 328.526 1.679 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290110005 444243455 /nfs/dbraw/zinc/24/34/55/444243455.db2.gz XSEMWWWTTXJAGP-QGZVFWFLSA-N 2 2 329.444 1.857 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290110005 444243456 /nfs/dbraw/zinc/24/34/56/444243456.db2.gz XSEMWWWTTXJAGP-QGZVFWFLSA-N 2 2 329.444 1.857 20 30 EDEDLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328709963 444437041 /nfs/dbraw/zinc/43/70/41/444437041.db2.gz FYXFSRAIMDEKGB-INIZCTEOSA-N 2 2 329.448 1.350 20 30 EDEDLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328709963 444437044 /nfs/dbraw/zinc/43/70/44/444437044.db2.gz FYXFSRAIMDEKGB-INIZCTEOSA-N 2 2 329.448 1.350 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000581663296 322205547 /nfs/dbraw/zinc/20/55/47/322205547.db2.gz MQUZFXUOKYERHV-HNNXBMFYSA-N 2 2 326.404 1.406 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000581663296 322205548 /nfs/dbraw/zinc/20/55/48/322205548.db2.gz MQUZFXUOKYERHV-HNNXBMFYSA-N 2 2 326.404 1.406 20 30 EDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000330092158 444841408 /nfs/dbraw/zinc/84/14/08/444841408.db2.gz YJYZZQCOTUYHFU-KDOFPFPSSA-N 2 2 337.464 1.450 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000330092158 444841411 /nfs/dbraw/zinc/84/14/11/444841411.db2.gz YJYZZQCOTUYHFU-KDOFPFPSSA-N 2 2 337.464 1.450 20 30 EDEDLP Cc1nccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000330285100 444922814 /nfs/dbraw/zinc/92/28/14/444922814.db2.gz YJFJRKWMTBTSTF-UHFFFAOYSA-N 2 2 332.452 1.670 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000354946675 445435486 /nfs/dbraw/zinc/43/54/86/445435486.db2.gz KDSZHIOFZJLZEG-FUHWJXTLSA-N 2 2 337.508 1.985 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000354946675 445435491 /nfs/dbraw/zinc/43/54/91/445435491.db2.gz KDSZHIOFZJLZEG-FUHWJXTLSA-N 2 2 337.508 1.985 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000369589823 446135082 /nfs/dbraw/zinc/13/50/82/446135082.db2.gz AGURIKFEMBWNJQ-UHFFFAOYSA-N 2 2 331.485 1.710 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000369589823 446135084 /nfs/dbraw/zinc/13/50/84/446135084.db2.gz AGURIKFEMBWNJQ-UHFFFAOYSA-N 2 2 331.485 1.710 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375503292 446855018 /nfs/dbraw/zinc/85/50/18/446855018.db2.gz RUSQDQNYDWTZQP-SJLPKXTDSA-N 2 2 340.471 1.758 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000562987259 448277963 /nfs/dbraw/zinc/27/79/63/448277963.db2.gz WYHMSPWMPRKGBH-GOSISDBHSA-N 2 2 327.432 1.227 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000572565608 448409540 /nfs/dbraw/zinc/40/95/40/448409540.db2.gz YIBJVWLSXDVVBG-UHFFFAOYSA-N 2 2 341.381 2.410 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600743600 449529989 /nfs/dbraw/zinc/52/99/89/449529989.db2.gz KFXKSEQHFAVEMX-RTBURBONSA-N 2 2 342.487 1.447 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600743600 449529991 /nfs/dbraw/zinc/52/99/91/449529991.db2.gz KFXKSEQHFAVEMX-RTBURBONSA-N 2 2 342.487 1.447 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615538 449495538 /nfs/dbraw/zinc/49/55/38/449495538.db2.gz CRYGRYMFIWNJSS-GJZGRUSLSA-N 2 2 332.448 1.901 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615538 449495541 /nfs/dbraw/zinc/49/55/41/449495541.db2.gz CRYGRYMFIWNJSS-GJZGRUSLSA-N 2 2 332.448 1.901 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000600722078 449517210 /nfs/dbraw/zinc/51/72/10/449517210.db2.gz FEOYXHMHNLNVMC-INIZCTEOSA-N 2 2 326.400 1.785 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599283988 449858420 /nfs/dbraw/zinc/85/84/20/449858420.db2.gz JSXANRNQLZHBJX-UHFFFAOYSA-N 2 2 328.460 1.853 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609672725 450083055 /nfs/dbraw/zinc/08/30/55/450083055.db2.gz OBFUTFVJCYDXBO-LMMKCTJWSA-N 2 2 349.523 1.141 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672725 450083058 /nfs/dbraw/zinc/08/30/58/450083058.db2.gz OBFUTFVJCYDXBO-LMMKCTJWSA-N 2 2 349.523 1.141 20 30 EDEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619436021 450472845 /nfs/dbraw/zinc/47/28/45/450472845.db2.gz KCNSOJQJQLOUIW-QGZVFWFLSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619436021 450472848 /nfs/dbraw/zinc/47/28/48/450472848.db2.gz KCNSOJQJQLOUIW-QGZVFWFLSA-N 2 2 327.432 1.194 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471699 453330778 /nfs/dbraw/zinc/33/07/78/453330778.db2.gz CTBZWBXCUBSENJ-ROUUACIJSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471699 453330782 /nfs/dbraw/zinc/33/07/82/453330782.db2.gz CTBZWBXCUBSENJ-ROUUACIJSA-N 2 2 337.508 1.986 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901050 528848800 /nfs/dbraw/zinc/84/88/00/528848800.db2.gz DWPXSZNBKHXWFI-PKOBYXMFSA-N 2 2 349.523 1.143 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901050 528848805 /nfs/dbraw/zinc/84/88/05/528848805.db2.gz DWPXSZNBKHXWFI-PKOBYXMFSA-N 2 2 349.523 1.143 20 30 EDEDLP Cn1cc(CCO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000740872379 579387665 /nfs/dbraw/zinc/38/76/65/579387665.db2.gz RBXZRUFPTXHIEX-UHFFFAOYSA-N 2 2 343.431 1.132 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccccc3CC#N)C2)CC1 ZINC000777396669 580440736 /nfs/dbraw/zinc/44/07/36/580440736.db2.gz NXYKLAVLADLGHU-SFHVURJKSA-N 2 2 340.471 1.580 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccccc3CC#N)C2)CC1 ZINC000777396669 580440737 /nfs/dbraw/zinc/44/07/37/580440737.db2.gz NXYKLAVLADLGHU-SFHVURJKSA-N 2 2 340.471 1.580 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)Cc2ccc(F)cc2)CC1 ZINC000748817483 579701758 /nfs/dbraw/zinc/70/17/58/579701758.db2.gz XZVXWYCEKHUKRC-UHFFFAOYSA-N 2 2 331.435 1.815 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)Cc2ccc(F)cc2)CC1 ZINC000748817483 579701759 /nfs/dbraw/zinc/70/17/59/579701759.db2.gz XZVXWYCEKHUKRC-UHFFFAOYSA-N 2 2 331.435 1.815 20 30 EDEDLP Cc1ccnc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000755813837 579935950 /nfs/dbraw/zinc/93/59/50/579935950.db2.gz IRUWKRLJISURKY-UHFFFAOYSA-N 2 2 341.415 1.454 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000756019259 579941936 /nfs/dbraw/zinc/94/19/36/579941936.db2.gz QOULNLUGNUMQGW-FQEVSTJZSA-N 2 2 325.456 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000756019259 579941937 /nfs/dbraw/zinc/94/19/37/579941937.db2.gz QOULNLUGNUMQGW-FQEVSTJZSA-N 2 2 325.456 1.427 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769975326 580250176 /nfs/dbraw/zinc/25/01/76/580250176.db2.gz CVEMWFOFBMTPBJ-FUHWJXTLSA-N 2 2 331.460 1.132 20 30 EDEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769975326 580250177 /nfs/dbraw/zinc/25/01/77/580250177.db2.gz CVEMWFOFBMTPBJ-FUHWJXTLSA-N 2 2 331.460 1.132 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)CC1 ZINC000784494380 580622373 /nfs/dbraw/zinc/62/23/73/580622373.db2.gz MLNTVILGEXCMIG-LJQANCHMSA-N 2 2 339.483 1.870 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)CC1 ZINC000784494380 580622374 /nfs/dbraw/zinc/62/23/74/580622374.db2.gz MLNTVILGEXCMIG-LJQANCHMSA-N 2 2 339.483 1.870 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000836488359 594968495 /nfs/dbraw/zinc/96/84/95/594968495.db2.gz VXEOHJMFSGKEMU-UHFFFAOYSA-N 2 2 334.489 1.530 20 30 EDEDLP CCOC(=O)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000842037374 595006659 /nfs/dbraw/zinc/00/66/59/595006659.db2.gz YFHGRHUUIJZAND-UHFFFAOYSA-N 2 2 347.375 1.145 20 30 EDEDLP C=C(C)C[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000865300578 596532358 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BPQOAQVIRKZBBJ-IRXDYDNUSA-N 2 2 337.427 1.899 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943951772 701710709 /nfs/dbraw/zinc/71/07/09/701710709.db2.gz WMYOGKLAIAZYDD-ZBFHGGJFSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943951772 701710711 /nfs/dbraw/zinc/71/07/11/701710711.db2.gz WMYOGKLAIAZYDD-ZBFHGGJFSA-N 2 2 325.416 1.894 20 30 EDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001032658671 706631459 /nfs/dbraw/zinc/63/14/59/706631459.db2.gz NBTUEZLLFHAQAC-ROUUACIJSA-N 2 2 347.503 1.883 20 30 EDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001032658671 706631461 /nfs/dbraw/zinc/63/14/61/706631461.db2.gz NBTUEZLLFHAQAC-ROUUACIJSA-N 2 2 347.503 1.883 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996093081 702505927 /nfs/dbraw/zinc/50/59/27/702505927.db2.gz SARPGNHRSATWCE-ROUUACIJSA-N 2 2 349.519 1.890 20 30 EDEDLP 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PQXRKSTWHQVXDS-CRAIPNDOSA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217236 709573259 /nfs/dbraw/zinc/57/32/59/709573259.db2.gz PQXRKSTWHQVXDS-CRAIPNDOSA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217236 709573262 /nfs/dbraw/zinc/57/32/62/709573262.db2.gz PQXRKSTWHQVXDS-CRAIPNDOSA-N 2 2 343.475 1.784 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034270487 709675856 /nfs/dbraw/zinc/67/58/56/709675856.db2.gz BLPGLXQTLXUPCP-QLFBSQMISA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034270487 709675860 /nfs/dbraw/zinc/67/58/60/709675860.db2.gz BLPGLXQTLXUPCP-QLFBSQMISA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034270487 709675862 /nfs/dbraw/zinc/67/58/62/709675862.db2.gz BLPGLXQTLXUPCP-QLFBSQMISA-N 2 2 329.872 1.429 20 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/nfs/dbraw/zinc/61/05/17/539610517.db2.gz ACYCIIDSCGKTMU-YOEHRIQHSA-N 2 2 333.480 1.536 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000490739072 255103756 /nfs/dbraw/zinc/10/37/56/255103756.db2.gz BHBBXUAXQSGOQE-CQSZACIVSA-N 2 2 343.402 2.000 20 30 EDEDLP COc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1C#N ZINC000374242639 157210859 /nfs/dbraw/zinc/21/08/59/157210859.db2.gz ZHHCUQDTDHAFSO-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP COc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC000374242639 157210860 /nfs/dbraw/zinc/21/08/60/157210860.db2.gz ZHHCUQDTDHAFSO-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281765 303152774 /nfs/dbraw/zinc/15/27/74/303152774.db2.gz AYUUNHKFFABSFP-FUHWJXTLSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281765 303152776 /nfs/dbraw/zinc/15/27/76/303152776.db2.gz AYUUNHKFFABSFP-FUHWJXTLSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281765 303152777 /nfs/dbraw/zinc/15/27/77/303152777.db2.gz AYUUNHKFFABSFP-FUHWJXTLSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246281765 303152779 /nfs/dbraw/zinc/15/27/79/303152779.db2.gz AYUUNHKFFABSFP-FUHWJXTLSA-N 2 2 343.475 1.591 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cscc3C#N)CC2)CC1 ZINC000555624725 306204108 /nfs/dbraw/zinc/20/41/08/306204108.db2.gz SCZSRAXLXCQPSF-UHFFFAOYSA-N 2 2 332.473 1.908 20 30 EDEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000045840844 441047464 /nfs/dbraw/zinc/04/74/64/441047464.db2.gz XRLOVFAZRSVSAZ-UHFFFAOYSA-N 2 2 345.487 1.902 20 30 EDEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000045840844 441047470 /nfs/dbraw/zinc/04/74/70/441047470.db2.gz XRLOVFAZRSVSAZ-UHFFFAOYSA-N 2 2 345.487 1.902 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109959 441599159 /nfs/dbraw/zinc/59/91/59/441599159.db2.gz RLFCQRQIWYFROG-QGZVFWFLSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109959 441599163 /nfs/dbraw/zinc/59/91/63/441599163.db2.gz RLFCQRQIWYFROG-QGZVFWFLSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109959 441599164 /nfs/dbraw/zinc/59/91/64/441599164.db2.gz RLFCQRQIWYFROG-QGZVFWFLSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109959 441599167 /nfs/dbraw/zinc/59/91/67/441599167.db2.gz RLFCQRQIWYFROG-QGZVFWFLSA-N 2 2 344.459 1.452 20 30 EDEDLP C=CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121374269 442209789 /nfs/dbraw/zinc/20/97/89/442209789.db2.gz KQHZGFYQOZGXMP-INIZCTEOSA-N 2 2 331.460 1.641 20 30 EDEDLP C=CC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121374269 442209794 /nfs/dbraw/zinc/20/97/94/442209794.db2.gz KQHZGFYQOZGXMP-INIZCTEOSA-N 2 2 331.460 1.641 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913983 442535270 /nfs/dbraw/zinc/53/52/70/442535270.db2.gz KBLAHFZSTGRQPI-SQWLQELKSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913983 442535274 /nfs/dbraw/zinc/53/52/74/442535274.db2.gz KBLAHFZSTGRQPI-SQWLQELKSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134913983 442535277 /nfs/dbraw/zinc/53/52/77/442535277.db2.gz KBLAHFZSTGRQPI-SQWLQELKSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134913983 442535280 /nfs/dbraw/zinc/53/52/80/442535280.db2.gz KBLAHFZSTGRQPI-SQWLQELKSA-N 2 2 334.464 1.335 20 30 EDEDLP CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261987887 443178338 /nfs/dbraw/zinc/17/83/38/443178338.db2.gz QNXZGZOQASUFTD-ZIAGYGMSSA-N 2 2 334.468 1.114 20 30 EDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262436591 443194499 /nfs/dbraw/zinc/19/44/99/443194499.db2.gz GMXBHHSCGXXCQC-AWEZNQCLSA-N 2 2 336.505 1.650 20 30 EDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262436591 443194503 /nfs/dbraw/zinc/19/45/03/443194503.db2.gz GMXBHHSCGXXCQC-AWEZNQCLSA-N 2 2 336.505 1.650 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264141318 443252353 /nfs/dbraw/zinc/25/23/53/443252353.db2.gz WMVAHHDESAPXFT-JSGCOSHPSA-N 2 2 338.452 1.246 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724488 /nfs/dbraw/zinc/72/44/88/443724488.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724490 /nfs/dbraw/zinc/72/44/90/443724490.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724493 /nfs/dbraw/zinc/72/44/93/443724493.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000285940553 444158802 /nfs/dbraw/zinc/15/88/02/444158802.db2.gz DKRGCWSPOWMJAJ-DLBZAZTESA-N 2 2 347.459 1.810 20 30 EDEDLP C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000285940570 444158996 /nfs/dbraw/zinc/15/89/96/444158996.db2.gz DKRGCWSPOWMJAJ-SJORKVTESA-N 2 2 347.459 1.810 20 30 EDEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329136729 444481234 /nfs/dbraw/zinc/48/12/34/444481234.db2.gz CYGKGMCVFZKDHF-HUUCEWRRSA-N 2 2 334.468 1.139 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1C#N ZINC000581615978 322200042 /nfs/dbraw/zinc/20/00/42/322200042.db2.gz YXEKUEYBGIMGGT-UHFFFAOYSA-N 2 2 327.436 1.089 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343690261 444522243 /nfs/dbraw/zinc/52/22/43/444522243.db2.gz MRKMKNMWJMUXHO-UHFFFAOYSA-N 2 2 347.444 1.254 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343690261 444522254 /nfs/dbraw/zinc/52/22/54/444522254.db2.gz MRKMKNMWJMUXHO-UHFFFAOYSA-N 2 2 347.444 1.254 20 30 EDEDLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000329377687 444555708 /nfs/dbraw/zinc/55/57/08/444555708.db2.gz MHGPLORGDDVWSU-KRWDZBQOSA-N 2 2 333.432 1.562 20 30 EDEDLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000329377687 444555712 /nfs/dbraw/zinc/55/57/12/444555712.db2.gz MHGPLORGDDVWSU-KRWDZBQOSA-N 2 2 333.432 1.562 20 30 EDEDLP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)C[NH+]1CCN(C)CC1 ZINC000329816804 444728299 /nfs/dbraw/zinc/72/82/99/444728299.db2.gz WGATUKWXWVPNNR-OAHLLOKOSA-N 2 2 348.495 1.107 20 30 EDEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330281863 444921380 /nfs/dbraw/zinc/92/13/80/444921380.db2.gz VAEAGZMTSQUKRV-OAGGEKHMSA-N 2 2 347.463 1.155 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186651 444977466 /nfs/dbraw/zinc/97/74/66/444977466.db2.gz DHOZODQIFSWOCE-SZMVWBNQSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186651 444977472 /nfs/dbraw/zinc/97/74/72/444977472.db2.gz DHOZODQIFSWOCE-SZMVWBNQSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186651 444977476 /nfs/dbraw/zinc/97/74/76/444977476.db2.gz DHOZODQIFSWOCE-SZMVWBNQSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186651 444977478 /nfs/dbraw/zinc/97/74/78/444977478.db2.gz DHOZODQIFSWOCE-SZMVWBNQSA-N 2 2 345.491 1.522 20 30 EDEDLP CC(C)(C(N)=O)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330314938 444933602 /nfs/dbraw/zinc/93/36/02/444933602.db2.gz YHGCMROBMCMPEH-GFCCVEGCSA-N 2 2 334.424 1.043 20 30 EDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330320101 444935643 /nfs/dbraw/zinc/93/56/43/444935643.db2.gz DVKRSUXOJDMUEP-INMHGKMJSA-N 2 2 349.479 1.876 20 30 EDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330320101 444935646 /nfs/dbraw/zinc/93/56/46/444935646.db2.gz DVKRSUXOJDMUEP-INMHGKMJSA-N 2 2 349.479 1.876 20 30 EDEDLP N#CC1(F)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000352469803 445531897 /nfs/dbraw/zinc/53/18/97/445531897.db2.gz ZHPVHEMLARTVPQ-UHFFFAOYSA-N 2 2 345.422 1.448 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000364353448 445914295 /nfs/dbraw/zinc/91/42/95/445914295.db2.gz MYGPZWFRPQKNDI-MWDXBVQZSA-N 2 2 336.480 1.226 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000364353448 445914300 /nfs/dbraw/zinc/91/43/00/445914300.db2.gz MYGPZWFRPQKNDI-MWDXBVQZSA-N 2 2 336.480 1.226 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420319215 446486192 /nfs/dbraw/zinc/48/61/92/446486192.db2.gz XNFAHWJHICXLQZ-MSOLQXFVSA-N 2 2 328.460 1.813 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420319215 446486199 /nfs/dbraw/zinc/48/61/99/446486199.db2.gz XNFAHWJHICXLQZ-MSOLQXFVSA-N 2 2 328.460 1.813 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376595703 446595942 /nfs/dbraw/zinc/59/59/42/446595942.db2.gz QDANYZRLQLXYTA-CQSZACIVSA-N 2 2 345.447 1.411 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376595703 446595945 /nfs/dbraw/zinc/59/59/45/446595945.db2.gz QDANYZRLQLXYTA-CQSZACIVSA-N 2 2 345.447 1.411 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C(=O)C1 ZINC000371638247 446941379 /nfs/dbraw/zinc/94/13/79/446941379.db2.gz PNWKYSKXEIMIQB-UHFFFAOYSA-N 2 2 345.874 1.930 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C(=O)C1 ZINC000371638247 446941385 /nfs/dbraw/zinc/94/13/85/446941385.db2.gz PNWKYSKXEIMIQB-UHFFFAOYSA-N 2 2 345.874 1.930 20 30 EDEDLP C=C(Cl)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000372305503 447037319 /nfs/dbraw/zinc/03/73/19/447037319.db2.gz RDKRMWZCZNXNRF-YIONKMFJSA-N 2 2 326.872 1.691 20 30 EDEDLP C=C(Cl)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000372305503 447037324 /nfs/dbraw/zinc/03/73/24/447037324.db2.gz RDKRMWZCZNXNRF-YIONKMFJSA-N 2 2 326.872 1.691 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)CC1 ZINC000490913503 447908488 /nfs/dbraw/zinc/90/84/88/447908488.db2.gz DIFDQXHGRYIZCJ-AWEZNQCLSA-N 2 2 333.407 1.262 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)C(C)C ZINC000557690717 448189291 /nfs/dbraw/zinc/18/92/91/448189291.db2.gz BJLYDSWURGOSJO-WUJZJPHMSA-N 2 2 348.491 1.795 20 30 EDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855010 448898279 /nfs/dbraw/zinc/89/82/79/448898279.db2.gz RLSXIBKOXYVMKJ-YJBOKZPZSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855010 448898280 /nfs/dbraw/zinc/89/82/80/448898280.db2.gz RLSXIBKOXYVMKJ-YJBOKZPZSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855010 448898285 /nfs/dbraw/zinc/89/82/85/448898285.db2.gz RLSXIBKOXYVMKJ-YJBOKZPZSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855010 448898287 /nfs/dbraw/zinc/89/82/87/448898287.db2.gz RLSXIBKOXYVMKJ-YJBOKZPZSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000580752235 448956415 /nfs/dbraw/zinc/95/64/15/448956415.db2.gz SEERPZMYHRIWJY-UHFFFAOYSA-N 2 2 345.447 1.411 20 30 EDEDLP CN(C(=O)c1cscc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590242017 449119647 /nfs/dbraw/zinc/11/96/47/449119647.db2.gz KERZNNYXSAOCJH-HNNXBMFYSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1cscc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590242017 449119650 /nfs/dbraw/zinc/11/96/50/449119650.db2.gz KERZNNYXSAOCJH-HNNXBMFYSA-N 2 2 332.473 1.860 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1C#N ZINC000596046791 449335200 /nfs/dbraw/zinc/33/52/00/449335200.db2.gz MRILRWWHZDPFBY-WMLDXEAASA-N 2 2 342.443 1.728 20 30 EDEDLP C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000594306122 449440322 /nfs/dbraw/zinc/44/03/22/449440322.db2.gz LCZOTHUANADIKI-INIZCTEOSA-N 2 2 342.487 1.879 20 30 EDEDLP N#Cc1cccnc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596983308 449748394 /nfs/dbraw/zinc/74/83/94/449748394.db2.gz UULBCDUHZZAATB-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CCOCC1 ZINC000597227320 449883159 /nfs/dbraw/zinc/88/31/59/449883159.db2.gz QISKCHADLMHULY-UHFFFAOYSA-N 2 2 336.480 1.181 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C#N)CCOCC1 ZINC000597227320 449883161 /nfs/dbraw/zinc/88/31/61/449883161.db2.gz QISKCHADLMHULY-UHFFFAOYSA-N 2 2 336.480 1.181 20 30 EDEDLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975938 449976809 /nfs/dbraw/zinc/97/68/09/449976809.db2.gz IZFMOKBDFZZZFQ-IRXDYDNUSA-N 2 2 341.459 1.744 20 30 EDEDLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975938 449976812 /nfs/dbraw/zinc/97/68/12/449976812.db2.gz IZFMOKBDFZZZFQ-IRXDYDNUSA-N 2 2 341.459 1.744 20 30 EDEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833627 450356044 /nfs/dbraw/zinc/35/60/44/450356044.db2.gz YRVDHWUIJSSZDD-IRXDYDNUSA-N 2 2 326.444 1.701 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000624738723 450975877 /nfs/dbraw/zinc/97/58/77/450975877.db2.gz MJJKOTPATLMPHC-IAGOWNOFSA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)C(C)C ZINC000624738723 450975885 /nfs/dbraw/zinc/97/58/85/450975885.db2.gz MJJKOTPATLMPHC-IAGOWNOFSA-N 2 2 338.496 1.315 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323402 453040530 /nfs/dbraw/zinc/04/05/30/453040530.db2.gz QIMWXNAKXKTTHJ-DLBZAZTESA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323402 453040536 /nfs/dbraw/zinc/04/05/36/453040536.db2.gz QIMWXNAKXKTTHJ-DLBZAZTESA-N 2 2 325.497 1.842 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473655 453333967 /nfs/dbraw/zinc/33/39/67/453333967.db2.gz RXCIRMTXSOFNOL-QZTJIDSGSA-N 2 2 335.492 1.762 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473655 453333974 /nfs/dbraw/zinc/33/39/74/453333974.db2.gz RXCIRMTXSOFNOL-QZTJIDSGSA-N 2 2 335.492 1.762 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000183962735 534083281 /nfs/dbraw/zinc/08/32/81/534083281.db2.gz BMHUZDMXHDCXOW-MAUKXSAKSA-N 2 2 326.444 1.858 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000183962735 534083282 /nfs/dbraw/zinc/08/32/82/534083282.db2.gz BMHUZDMXHDCXOW-MAUKXSAKSA-N 2 2 326.444 1.858 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000104171602 529070494 /nfs/dbraw/zinc/07/04/94/529070494.db2.gz NALFNVKLZVFWAZ-CQSZACIVSA-N 3 2 328.464 1.884 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1[nH]c2ccccc2[nH+]1 ZINC000104171602 529070502 /nfs/dbraw/zinc/07/05/02/529070502.db2.gz NALFNVKLZVFWAZ-CQSZACIVSA-N 3 2 328.464 1.884 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732564008 578718473 /nfs/dbraw/zinc/71/84/73/578718473.db2.gz NZXAUPCZHAWVGX-KRWDZBQOSA-N 2 2 326.444 1.303 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732564008 578718475 /nfs/dbraw/zinc/71/84/75/578718475.db2.gz NZXAUPCZHAWVGX-KRWDZBQOSA-N 2 2 326.444 1.303 20 30 EDEDLP Cc1noc([C@@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000736299929 578975186 /nfs/dbraw/zinc/97/51/86/578975186.db2.gz VTYYVWGGVQGVAA-GFCCVEGCSA-N 2 2 345.403 1.608 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC000746503434 579598953 /nfs/dbraw/zinc/59/89/53/579598953.db2.gz NKOGHJXZRFEEPX-IBGZPJMESA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)CC1 ZINC000746503434 579598954 /nfs/dbraw/zinc/59/89/54/579598954.db2.gz NKOGHJXZRFEEPX-IBGZPJMESA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000767019053 580179652 /nfs/dbraw/zinc/17/96/52/580179652.db2.gz DXPUHMVWDLWUSF-IRXDYDNUSA-N 2 2 335.492 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000767019053 580179653 /nfs/dbraw/zinc/17/96/53/580179653.db2.gz DXPUHMVWDLWUSF-IRXDYDNUSA-N 2 2 335.492 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000775421960 580390485 /nfs/dbraw/zinc/39/04/85/580390485.db2.gz ILQNWXCEKZUTAM-LJQANCHMSA-N 2 2 325.456 1.895 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cc(Cl)nc(N)n3)cc2)CC1 ZINC000778544614 580467223 /nfs/dbraw/zinc/46/72/23/580467223.db2.gz HANUPOSKNHMEIU-UHFFFAOYSA-N 2 2 345.838 1.910 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3c(cccc3C(C)C)C2)CC1 ZINC000789550504 580749238 /nfs/dbraw/zinc/74/92/38/580749238.db2.gz XBPYGXKOTKRKCG-UHFFFAOYSA-N 2 2 339.483 1.946 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3c(cccc3C(C)C)C2)CC1 ZINC000789550504 580749239 /nfs/dbraw/zinc/74/92/39/580749239.db2.gz XBPYGXKOTKRKCG-UHFFFAOYSA-N 2 2 339.483 1.946 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC(=C)C)Cc2ccccc2)CC1 ZINC000791568952 580795720 /nfs/dbraw/zinc/79/57/20/580795720.db2.gz QROQQPBGOYMTOD-UHFFFAOYSA-N 2 2 325.456 1.842 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC(=C)C)Cc2ccccc2)CC1 ZINC000791568952 580795721 /nfs/dbraw/zinc/79/57/21/580795721.db2.gz QROQQPBGOYMTOD-UHFFFAOYSA-N 2 2 325.456 1.842 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC#C[C@@H]3CCCCO3)C2)CC1 ZINC000893022539 591257833 /nfs/dbraw/zinc/25/78/33/591257833.db2.gz MAZWVIWZCPOFLN-WMZOPIPTSA-N 2 2 348.491 1.027 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC#C[C@@H]3CCCCO3)C2)CC1 ZINC000893022539 591257837 /nfs/dbraw/zinc/25/78/37/591257837.db2.gz MAZWVIWZCPOFLN-WMZOPIPTSA-N 2 2 348.491 1.027 20 30 EDEDLP Cn1nnnc1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000898040676 591765890 /nfs/dbraw/zinc/76/58/90/591765890.db2.gz YAXOOWZCNXSQLQ-UHFFFAOYSA-N 2 2 339.447 1.269 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900663689 592085106 /nfs/dbraw/zinc/08/51/06/592085106.db2.gz FNZITOJWYZJJRN-IBGZPJMESA-N 2 2 345.487 1.554 20 30 EDEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730017 592446529 /nfs/dbraw/zinc/44/65/29/592446529.db2.gz VBWOQNPKSBGWJV-MNOVXSKESA-N 2 2 339.237 1.337 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000905461256 592541794 /nfs/dbraw/zinc/54/17/94/592541794.db2.gz PLMQTWNDYSFWCR-VQTJNVASSA-N 2 2 327.472 1.093 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905461256 592541797 /nfs/dbraw/zinc/54/17/97/592541797.db2.gz PLMQTWNDYSFWCR-VQTJNVASSA-N 2 2 327.472 1.093 20 30 EDEDLP C[C@H](C#N)OCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000802730297 593273495 /nfs/dbraw/zinc/27/34/95/593273495.db2.gz UZPIENYWHHGTQD-CQSZACIVSA-N 2 2 346.431 1.419 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827323980 594661114 /nfs/dbraw/zinc/66/11/14/594661114.db2.gz VMKHPEBLKKVDLY-QRQLOZEOSA-N 2 2 349.519 1.820 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827323980 594661115 /nfs/dbraw/zinc/66/11/15/594661115.db2.gz VMKHPEBLKKVDLY-QRQLOZEOSA-N 2 2 349.519 1.820 20 30 EDEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910038 595335654 /nfs/dbraw/zinc/33/56/54/595335654.db2.gz AUAMTFUQFDORLX-HNAYVOBHSA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910038 595335657 /nfs/dbraw/zinc/33/56/57/595335657.db2.gz AUAMTFUQFDORLX-HNAYVOBHSA-N 2 2 329.444 1.777 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccnc(Cl)c3)cn2)CC1 ZINC000853395078 595747185 /nfs/dbraw/zinc/74/71/85/595747185.db2.gz KCHLGQHNTFZVMD-UHFFFAOYSA-N 2 2 331.811 1.723 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853965593 595935975 /nfs/dbraw/zinc/93/59/75/595935975.db2.gz IMMBHQGWJLXXAD-KRWDZBQOSA-N 2 2 329.444 1.909 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853965593 595935978 /nfs/dbraw/zinc/93/59/78/595935978.db2.gz IMMBHQGWJLXXAD-KRWDZBQOSA-N 2 2 329.444 1.909 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000867980098 596643100 /nfs/dbraw/zinc/64/31/00/596643100.db2.gz SMAGTRBIAQWUAP-WOJBJXKFSA-N 2 2 346.434 1.918 20 30 EDEDLP C[NH+]1CCC(CNC(=O)[C@]2(C#N)CCCOC2)([NH+]2CCCCC2)CC1 ZINC000866115060 596793972 /nfs/dbraw/zinc/79/39/72/596793972.db2.gz OBGABXWDWALHOZ-SFHVURJKSA-N 2 2 348.491 1.373 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000877027558 597416184 /nfs/dbraw/zinc/41/61/84/597416184.db2.gz OYBKHZMKPFHPEO-GFCCVEGCSA-N 2 2 325.844 1.906 20 30 EDEDLP CC(C)[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000877252000 597480006 /nfs/dbraw/zinc/48/00/06/597480006.db2.gz WZXKZVDWMUOOFT-MSOLQXFVSA-N 2 2 326.444 1.544 20 30 EDEDLP CC(C)[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000877252000 597480007 /nfs/dbraw/zinc/48/00/07/597480007.db2.gz WZXKZVDWMUOOFT-MSOLQXFVSA-N 2 2 326.444 1.544 20 30 EDEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000884036566 597973974 /nfs/dbraw/zinc/97/39/74/597973974.db2.gz YLPCSDZJARVGHM-IBGZPJMESA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000884036566 597973976 /nfs/dbraw/zinc/97/39/76/597973976.db2.gz YLPCSDZJARVGHM-IBGZPJMESA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000884036566 597973978 /nfs/dbraw/zinc/97/39/78/597973978.db2.gz YLPCSDZJARVGHM-IBGZPJMESA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000884036566 597973979 /nfs/dbraw/zinc/97/39/79/597973979.db2.gz YLPCSDZJARVGHM-IBGZPJMESA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000884049076 597978198 /nfs/dbraw/zinc/97/81/98/597978198.db2.gz FMOPQLKOBHBMID-CVEARBPZSA-N 2 2 334.489 1.748 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000884049076 597978199 /nfs/dbraw/zinc/97/81/99/597978199.db2.gz FMOPQLKOBHBMID-CVEARBPZSA-N 2 2 334.489 1.748 20 30 EDEDLP COc1c(C)c[nH+]c(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1C ZINC000884205200 598027508 /nfs/dbraw/zinc/02/75/08/598027508.db2.gz PSKFBTYGZLQVHB-TXKKKEFDSA-N 2 2 328.416 1.463 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000884228635 598037142 /nfs/dbraw/zinc/03/71/42/598037142.db2.gz URWHJNRRPMXOST-INIZCTEOSA-N 2 2 337.464 1.346 20 30 EDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939856457 699995166 /nfs/dbraw/zinc/99/51/66/699995166.db2.gz MISQFXMJWDVSSG-DYVFJYSZSA-N 2 2 341.390 1.531 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001031435358 697103154 /nfs/dbraw/zinc/10/31/54/697103154.db2.gz YFEXOBFHLNXZDJ-INIZCTEOSA-N 2 2 325.456 1.893 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154750 701557635 /nfs/dbraw/zinc/55/76/35/701557635.db2.gz SRSUUOYEPZAENE-RHSMWYFYSA-N 2 2 337.427 1.899 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000995156904 701567449 /nfs/dbraw/zinc/56/74/49/701567449.db2.gz YAFFZROAGIDOBG-IRXDYDNUSA-N 2 2 337.427 1.899 20 30 EDEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941678703 701616530 /nfs/dbraw/zinc/61/65/30/701616530.db2.gz 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1.837 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001031921651 701063966 /nfs/dbraw/zinc/06/39/66/701063966.db2.gz YLFLRVJVIONTMZ-RDJZCZTQSA-N 2 2 340.471 1.837 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978397 702085871 /nfs/dbraw/zinc/08/58/71/702085871.db2.gz SIWONTXRTKVGFI-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978397 702085877 /nfs/dbraw/zinc/08/58/77/702085877.db2.gz SIWONTXRTKVGFI-GUYCJALGSA-N 2 2 344.434 1.443 20 30 EDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032206185 702132902 /nfs/dbraw/zinc/13/29/02/702132902.db2.gz UGRFNBWIEIYUMD-HXUWFJFHSA-N 2 2 339.483 1.961 20 30 EDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032206185 702132905 /nfs/dbraw/zinc/13/29/05/702132905.db2.gz UGRFNBWIEIYUMD-HXUWFJFHSA-N 2 2 339.483 1.961 20 30 EDEDLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000996353635 702731427 /nfs/dbraw/zinc/73/14/27/702731427.db2.gz BHNNLHIEHVZDJD-QGZVFWFLSA-N 2 2 337.427 1.851 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000997043503 703296071 /nfs/dbraw/zinc/29/60/71/703296071.db2.gz YYQNMQLXHYGGFK-UHFFFAOYSA-N 2 2 329.429 1.666 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997189134 703479082 /nfs/dbraw/zinc/47/90/82/703479082.db2.gz WDNCCPCPXVETAF-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997279272 703540850 /nfs/dbraw/zinc/54/08/50/703540850.db2.gz MUKNIRRDTFZRRR-APWZRJJASA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997279272 703540852 /nfs/dbraw/zinc/54/08/52/703540852.db2.gz MUKNIRRDTFZRRR-APWZRJJASA-N 2 2 347.503 1.480 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998274604 705653732 /nfs/dbraw/zinc/65/37/32/705653732.db2.gz FPMCGAPYRTZZEJ-STQMWFEESA-N 2 2 330.354 1.828 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998303611 705706177 /nfs/dbraw/zinc/70/61/77/705706177.db2.gz MDEXBSGBPMRDAM-VXGBXAGGSA-N 2 2 342.365 1.690 20 30 EDEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999043895 706485055 /nfs/dbraw/zinc/48/50/55/706485055.db2.gz KPNXUOSNGBLXOV-QGZVFWFLSA-N 2 2 337.427 1.995 20 30 EDEDLP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001000996316 708083501 /nfs/dbraw/zinc/08/35/01/708083501.db2.gz XNYSORXKFCJJBV-GOSISDBHSA-N 2 2 335.492 1.812 20 30 EDEDLP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001000996316 708083502 /nfs/dbraw/zinc/08/35/02/708083502.db2.gz XNYSORXKFCJJBV-GOSISDBHSA-N 2 2 335.492 1.812 20 30 EDEDLP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001000996316 708083503 /nfs/dbraw/zinc/08/35/03/708083503.db2.gz XNYSORXKFCJJBV-GOSISDBHSA-N 2 2 335.492 1.812 20 30 EDEDLP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC001000996316 708083504 /nfs/dbraw/zinc/08/35/04/708083504.db2.gz XNYSORXKFCJJBV-GOSISDBHSA-N 2 2 335.492 1.812 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001001566426 708166485 /nfs/dbraw/zinc/16/64/85/708166485.db2.gz WFOMPORUGQOBBD-MRXNPFEDSA-N 2 2 328.460 1.675 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001001566426 708166488 /nfs/dbraw/zinc/16/64/88/708166488.db2.gz WFOMPORUGQOBBD-MRXNPFEDSA-N 2 2 328.460 1.675 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553201 708217702 /nfs/dbraw/zinc/21/77/02/708217702.db2.gz ARSISHYEWDPJBL-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553201 708217705 /nfs/dbraw/zinc/21/77/05/708217705.db2.gz ARSISHYEWDPJBL-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009969 709221174 /nfs/dbraw/zinc/22/11/74/709221174.db2.gz OTMDNQNMQSOVML-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009969 709221176 /nfs/dbraw/zinc/22/11/76/709221176.db2.gz OTMDNQNMQSOVML-INIZCTEOSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217835 709574302 /nfs/dbraw/zinc/57/43/02/709574302.db2.gz VZEFVLVOGPSONM-YOEHRIQHSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217835 709574305 /nfs/dbraw/zinc/57/43/05/709574305.db2.gz VZEFVLVOGPSONM-YOEHRIQHSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217835 709574309 /nfs/dbraw/zinc/57/43/09/709574309.db2.gz VZEFVLVOGPSONM-YOEHRIQHSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217835 709574314 /nfs/dbraw/zinc/57/43/14/709574314.db2.gz VZEFVLVOGPSONM-YOEHRIQHSA-N 2 2 331.464 1.947 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032968891 711044609 /nfs/dbraw/zinc/04/46/09/711044609.db2.gz UAYKCZKYJQSVEP-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032968891 711044612 /nfs/dbraw/zinc/04/46/12/711044612.db2.gz UAYKCZKYJQSVEP-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032968891 711044614 /nfs/dbraw/zinc/04/46/14/711044614.db2.gz UAYKCZKYJQSVEP-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032968891 711044618 /nfs/dbraw/zinc/04/46/18/711044618.db2.gz UAYKCZKYJQSVEP-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329818340 539466782 /nfs/dbraw/zinc/46/67/82/539466782.db2.gz XAWJEFFLELKEOV-UKRRQHHQSA-N 2 2 349.479 1.262 20 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ZINC000424184232 252156833 /nfs/dbraw/zinc/15/68/33/252156833.db2.gz CTWNVFWITNHVMH-YDHLFZDLSA-N 2 2 338.452 1.798 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CCCc2ccccc2)CC1 ZINC000490761731 255105751 /nfs/dbraw/zinc/10/57/51/255105751.db2.gz WDVGZSMXNBRCOW-UHFFFAOYSA-N 2 2 342.443 1.285 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000491725007 255145289 /nfs/dbraw/zinc/14/52/89/255145289.db2.gz HJYKWZWWIKTUOT-UHFFFAOYSA-N 2 2 339.439 1.259 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000491725007 255145291 /nfs/dbraw/zinc/14/52/91/255145291.db2.gz HJYKWZWWIKTUOT-UHFFFAOYSA-N 2 2 339.439 1.259 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000491816585 255149685 /nfs/dbraw/zinc/14/96/85/255149685.db2.gz NCIPBBUCOVEZLW-UHFFFAOYSA-N 2 2 341.371 1.465 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000491816585 255149687 /nfs/dbraw/zinc/14/96/87/255149687.db2.gz NCIPBBUCOVEZLW-UHFFFAOYSA-N 2 2 341.371 1.465 20 30 EDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129218501 268278070 /nfs/dbraw/zinc/27/80/70/268278070.db2.gz CYACXZCXZJEKFH-MRXNPFEDSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129218501 268278071 /nfs/dbraw/zinc/27/80/71/268278071.db2.gz CYACXZCXZJEKFH-MRXNPFEDSA-N 2 2 342.443 1.541 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000329360402 289309932 /nfs/dbraw/zinc/30/99/32/289309932.db2.gz XWYZFERWFUGPKI-CABCVRRESA-N 2 2 335.452 1.438 20 30 EDEDLP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191571995 442467913 /nfs/dbraw/zinc/46/79/13/442467913.db2.gz FEWYLOAUVPBAAM-QGZVFWFLSA-N 2 2 343.537 1.078 20 30 EDEDLP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191571995 442467920 /nfs/dbraw/zinc/46/79/20/442467920.db2.gz FEWYLOAUVPBAAM-QGZVFWFLSA-N 2 2 343.537 1.078 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000281222288 443852111 /nfs/dbraw/zinc/85/21/11/443852111.db2.gz DXDHVMPAKKTNIU-JYJNAYRXSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000281222288 443852114 /nfs/dbraw/zinc/85/21/14/443852114.db2.gz DXDHVMPAKKTNIU-JYJNAYRXSA-N 2 2 349.454 1.051 20 30 EDEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[N@H+](C)C1CC1 ZINC000328626166 444400458 /nfs/dbraw/zinc/40/04/58/444400458.db2.gz LLDLZASJXHKBIJ-IOASZLSFSA-N 2 2 335.452 1.627 20 30 EDEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[N@@H+](C)C1CC1 ZINC000328626166 444400464 /nfs/dbraw/zinc/40/04/64/444400464.db2.gz LLDLZASJXHKBIJ-IOASZLSFSA-N 2 2 335.452 1.627 20 30 EDEDLP C[C@@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000329045073 444456135 /nfs/dbraw/zinc/45/61/35/444456135.db2.gz UOJPGQLEOHTEHW-IXDOHACOSA-N 2 2 345.491 1.746 20 30 EDEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000329724289 444693437 /nfs/dbraw/zinc/69/34/37/444693437.db2.gz BMZLCQLFCVHMPR-ILXRZTDVSA-N 2 2 335.452 1.061 20 30 EDEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000329724289 444693439 /nfs/dbraw/zinc/69/34/39/444693439.db2.gz BMZLCQLFCVHMPR-ILXRZTDVSA-N 2 2 335.452 1.061 20 30 EDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330178480 444875225 /nfs/dbraw/zinc/87/52/25/444875225.db2.gz DSSGAQALXRUFKV-OAHLLOKOSA-N 2 2 347.463 1.288 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186648 444978041 /nfs/dbraw/zinc/97/80/41/444978041.db2.gz DHOZODQIFSWOCE-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186648 444978044 /nfs/dbraw/zinc/97/80/44/444978044.db2.gz DHOZODQIFSWOCE-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186648 444978048 /nfs/dbraw/zinc/97/80/48/444978048.db2.gz DHOZODQIFSWOCE-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)C1=O ZINC000337186648 444978050 /nfs/dbraw/zinc/97/80/50/444978050.db2.gz DHOZODQIFSWOCE-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C[NH+]1CCCC1 ZINC000330334803 444941019 /nfs/dbraw/zinc/94/10/19/444941019.db2.gz QZKAMCPQXOEDBL-BFYDXBDKSA-N 2 2 349.479 1.876 20 30 EDEDLP C=C(C)[C@H](CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000354946677 445435383 /nfs/dbraw/zinc/43/53/83/445435383.db2.gz KDSZHIOFZJLZEG-WMZOPIPTSA-N 2 2 337.508 1.985 20 30 EDEDLP C=C(C)[C@H](CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000354946677 445435387 /nfs/dbraw/zinc/43/53/87/445435387.db2.gz KDSZHIOFZJLZEG-WMZOPIPTSA-N 2 2 337.508 1.985 20 30 EDEDLP N#CC1(F)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000352456723 445530669 /nfs/dbraw/zinc/53/06/69/445530669.db2.gz AFTXUNUIVGUSKW-UHFFFAOYSA-N 2 2 344.434 1.658 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)C(C)C ZINC000356780362 446012105 /nfs/dbraw/zinc/01/21/05/446012105.db2.gz NMTRNCRBQAECOJ-SFHVURJKSA-N 2 2 329.492 2.575 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)C(C)C ZINC000356780362 446012114 /nfs/dbraw/zinc/01/21/14/446012114.db2.gz NMTRNCRBQAECOJ-SFHVURJKSA-N 2 2 329.492 2.575 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301553 446757028 /nfs/dbraw/zinc/75/70/28/446757028.db2.gz VCXYEMBAFANAIW-LTIDMASMSA-N 2 2 336.480 1.178 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301553 446757035 /nfs/dbraw/zinc/75/70/35/446757035.db2.gz VCXYEMBAFANAIW-LTIDMASMSA-N 2 2 336.480 1.178 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1C#N ZINC000488189103 447843153 /nfs/dbraw/zinc/84/31/53/447843153.db2.gz ARHXQUMZYVHEGB-SFHVURJKSA-N 2 2 326.444 1.605 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1C#N ZINC000488189103 447843155 /nfs/dbraw/zinc/84/31/55/447843155.db2.gz ARHXQUMZYVHEGB-SFHVURJKSA-N 2 2 326.444 1.605 20 30 EDEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000490852994 447900372 /nfs/dbraw/zinc/90/03/72/447900372.db2.gz PAVNWTRZSBPWQC-UHFFFAOYSA-N 2 2 341.455 1.221 20 30 EDEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000490852994 447900377 /nfs/dbraw/zinc/90/03/77/447900377.db2.gz PAVNWTRZSBPWQC-UHFFFAOYSA-N 2 2 341.455 1.221 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000491240752 447968463 /nfs/dbraw/zinc/96/84/63/447968463.db2.gz CKAADYYJNXMZKB-XLIONFOSSA-N 2 2 343.471 1.208 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000491240752 447968469 /nfs/dbraw/zinc/96/84/69/447968469.db2.gz CKAADYYJNXMZKB-XLIONFOSSA-N 2 2 343.471 1.208 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491663915 448079444 /nfs/dbraw/zinc/07/94/44/448079444.db2.gz PTSVNMJUZZQDGQ-MRXNPFEDSA-N 2 2 329.444 1.293 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491663915 448079451 /nfs/dbraw/zinc/07/94/51/448079451.db2.gz PTSVNMJUZZQDGQ-MRXNPFEDSA-N 2 2 329.444 1.293 20 30 EDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cnc12 ZINC000582676434 448310681 /nfs/dbraw/zinc/31/06/81/448310681.db2.gz HTKXTUFFPPJSJG-QGZVFWFLSA-N 2 2 340.431 1.288 20 30 EDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cnc12 ZINC000582676434 448310684 /nfs/dbraw/zinc/31/06/84/448310684.db2.gz HTKXTUFFPPJSJG-QGZVFWFLSA-N 2 2 340.431 1.288 20 30 EDEDLP N#CC[C@]1(O)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153780 448715038 /nfs/dbraw/zinc/71/50/38/448715038.db2.gz OOZGHSDKBZVMSR-OALUTQOASA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153780 448715040 /nfs/dbraw/zinc/71/50/40/448715040.db2.gz OOZGHSDKBZVMSR-OALUTQOASA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153780 448715043 /nfs/dbraw/zinc/71/50/43/448715043.db2.gz OOZGHSDKBZVMSR-OALUTQOASA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153780 448715045 /nfs/dbraw/zinc/71/50/45/448715045.db2.gz OOZGHSDKBZVMSR-OALUTQOASA-N 2 2 329.444 1.628 20 30 EDEDLP COC[C@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323945 449226640 /nfs/dbraw/zinc/22/66/40/449226640.db2.gz UHBKBAHUZZVJOH-IBGZPJMESA-N 3 2 330.476 1.866 20 30 EDEDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465685 449298205 /nfs/dbraw/zinc/29/82/05/449298205.db2.gz BRRRZCIEERQMEX-YJBOKZPZSA-N 2 2 346.450 1.754 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593968202 449308368 /nfs/dbraw/zinc/30/83/68/449308368.db2.gz JNEPFPATDNJTNC-IAGOWNOFSA-N 2 2 340.427 1.715 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593968202 449308374 /nfs/dbraw/zinc/30/83/74/449308374.db2.gz JNEPFPATDNJTNC-IAGOWNOFSA-N 2 2 340.427 1.715 20 30 EDEDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602018890 449278032 /nfs/dbraw/zinc/27/80/32/449278032.db2.gz AOKQLEPMGPTHQP-RHSMWYFYSA-N 2 2 327.363 1.540 20 30 EDEDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000611587894 449349540 /nfs/dbraw/zinc/34/95/40/449349540.db2.gz LOZDUKXBHSXQFF-RDJZCZTQSA-N 2 2 346.450 1.754 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)C(C)C ZINC000624738725 450974724 /nfs/dbraw/zinc/97/47/24/450974724.db2.gz MJJKOTPATLMPHC-SJORKVTESA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)C(C)C ZINC000624738725 450974728 /nfs/dbraw/zinc/97/47/28/450974728.db2.gz MJJKOTPATLMPHC-SJORKVTESA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000636575175 451316471 /nfs/dbraw/zinc/31/64/71/451316471.db2.gz WQMBYOZEXIVTRP-DOTOQJQBSA-N 2 2 331.464 1.806 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000124001875 526368262 /nfs/dbraw/zinc/36/82/62/526368262.db2.gz ZQPPIDVPIXOHKR-LBPRGKRZSA-N 2 2 332.374 1.027 20 30 EDEDLP CCN(CC)C(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000104180735 527982195 /nfs/dbraw/zinc/98/21/95/527982195.db2.gz CSXFDGXAAAWPHH-UHFFFAOYSA-N 2 2 334.464 1.554 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2cccc(C#N)c2)CC1 ZINC000748752333 579699201 /nfs/dbraw/zinc/69/92/01/579699201.db2.gz XTYRJEBEJFYPDN-UHFFFAOYSA-N 2 2 330.432 1.079 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2cccc(Cl)c2)CC1 ZINC000748812763 579700809 /nfs/dbraw/zinc/70/08/09/579700809.db2.gz GLJVPPQWRWLIAH-UHFFFAOYSA-N 2 2 333.863 1.939 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2cccc(Cl)c2)CC1 ZINC000748812763 579700811 /nfs/dbraw/zinc/70/08/11/579700811.db2.gz GLJVPPQWRWLIAH-UHFFFAOYSA-N 2 2 333.863 1.939 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000748815338 579701283 /nfs/dbraw/zinc/70/12/83/579701283.db2.gz LOYACRAXCBJZRJ-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000748815338 579701284 /nfs/dbraw/zinc/70/12/84/579701284.db2.gz LOYACRAXCBJZRJ-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893567355 590966913 /nfs/dbraw/zinc/96/69/13/590966913.db2.gz MEXMEMYKMDPOJY-OAHLLOKOSA-N 2 2 327.469 1.502 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000895812194 591278522 /nfs/dbraw/zinc/27/85/22/591278522.db2.gz NZQBQSGAAIEHCK-HUUCEWRRSA-N 2 2 329.448 1.193 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000895812194 591278524 /nfs/dbraw/zinc/27/85/24/591278524.db2.gz NZQBQSGAAIEHCK-HUUCEWRRSA-N 2 2 329.448 1.193 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(CCC(=O)OCC)[nH+]c(C)n2)CC1 ZINC000895812542 591279189 /nfs/dbraw/zinc/27/91/89/591279189.db2.gz RDLGRXWMFCDJCI-UHFFFAOYSA-N 2 2 330.432 1.790 20 30 EDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787095 592063995 /nfs/dbraw/zinc/06/39/95/592063995.db2.gz XFUMSLOZJVFRLA-YOEHRIQHSA-N 2 2 329.448 1.547 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(OC)c1 ZINC000903871802 592354646 /nfs/dbraw/zinc/35/46/46/592354646.db2.gz VUMFMSVHDOLOLM-FXAWDEMLSA-N 2 2 346.471 1.991 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]23CC[NH2+]C3)c(OC)c1 ZINC000903871802 592354653 /nfs/dbraw/zinc/35/46/53/592354653.db2.gz VUMFMSVHDOLOLM-FXAWDEMLSA-N 2 2 346.471 1.991 20 30 EDEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730029 592446027 /nfs/dbraw/zinc/44/60/27/592446027.db2.gz VBWOQNPKSBGWJV-WDEREUQCSA-N 2 2 339.237 1.337 20 30 EDEDLP C=CCS(=O)(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000782888854 593129521 /nfs/dbraw/zinc/12/95/21/593129521.db2.gz ZUDLHSSVATYCFL-UHFFFAOYSA-N 2 2 344.400 1.223 20 30 EDEDLP C=CC[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000840040394 593404762 /nfs/dbraw/zinc/40/47/62/593404762.db2.gz CBSLXCRZONUTMG-HDICACEKSA-N 2 2 339.439 1.711 20 30 EDEDLP C=CC[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000840040394 593404763 /nfs/dbraw/zinc/40/47/63/593404763.db2.gz CBSLXCRZONUTMG-HDICACEKSA-N 2 2 339.439 1.711 20 30 EDEDLP C=CC[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000840040394 593404764 /nfs/dbraw/zinc/40/47/64/593404764.db2.gz CBSLXCRZONUTMG-HDICACEKSA-N 2 2 339.439 1.711 20 30 EDEDLP C=CC[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000840040394 593404765 /nfs/dbraw/zinc/40/47/65/593404765.db2.gz CBSLXCRZONUTMG-HDICACEKSA-N 2 2 339.439 1.711 20 30 EDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000812228217 593493056 /nfs/dbraw/zinc/49/30/56/593493056.db2.gz HPGAKGUKXPTYMQ-UHFFFAOYSA-N 2 2 347.444 1.844 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000814641563 593598849 /nfs/dbraw/zinc/59/88/49/593598849.db2.gz HZUXQWOYRSOBTQ-IBGZPJMESA-N 2 2 325.456 1.643 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000819450761 593755206 /nfs/dbraw/zinc/75/52/06/593755206.db2.gz DVBAZHFFNHTSSQ-UHFFFAOYSA-N 2 2 344.459 1.389 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CC1 ZINC000829068701 594561881 /nfs/dbraw/zinc/56/18/81/594561881.db2.gz UXWDSMXDJCBOES-SFHVURJKSA-N 2 2 338.455 1.738 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000826867226 594590698 /nfs/dbraw/zinc/59/06/98/594590698.db2.gz JGEGYXGQKCQMEI-UHFFFAOYSA-N 2 2 327.432 1.440 20 30 EDEDLP COc1ccc(O)c(/C=[NH+]\CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840711770 594812061 /nfs/dbraw/zinc/81/20/61/594812061.db2.gz SJPJNCDNAANDDO-ZHZULCJRSA-N 2 2 347.459 1.616 20 30 EDEDLP C(=[NH+]OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCOCC2)cc1 ZINC000842017107 595003063 /nfs/dbraw/zinc/00/30/63/595003063.db2.gz IFXAQLRXJMMBDR-KDURUIRLSA-N 2 2 345.443 1.737 20 30 EDEDLP C(=[NH+]OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(N2CCOCC2)cc1 ZINC000842017107 595003064 /nfs/dbraw/zinc/00/30/64/595003064.db2.gz IFXAQLRXJMMBDR-KDURUIRLSA-N 2 2 345.443 1.737 20 30 EDEDLP COC(=O)N(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000850389895 595825821 /nfs/dbraw/zinc/82/58/21/595825821.db2.gz KXHDGAIWIDOOPG-UHFFFAOYSA-N 2 2 330.432 1.810 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000867980096 596643129 /nfs/dbraw/zinc/64/31/29/596643129.db2.gz SMAGTRBIAQWUAP-UXHICEINSA-N 2 2 346.434 1.918 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000879434214 597916297 /nfs/dbraw/zinc/91/62/97/597916297.db2.gz FZRKGVQVWXHCPS-INIZCTEOSA-N 2 2 328.460 1.585 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000879434214 597916300 /nfs/dbraw/zinc/91/63/00/597916300.db2.gz FZRKGVQVWXHCPS-INIZCTEOSA-N 2 2 328.460 1.585 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001031682789 697507147 /nfs/dbraw/zinc/50/71/47/697507147.db2.gz UVYUDQFGYKBYFH-RDTXWAMCSA-N 2 2 326.444 1.446 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001031682789 697507149 /nfs/dbraw/zinc/50/71/49/697507149.db2.gz UVYUDQFGYKBYFH-RDTXWAMCSA-N 2 2 326.444 1.446 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000939209247 699355198 /nfs/dbraw/zinc/35/51/98/699355198.db2.gz FUHPAIDLPWDKRF-SJCJKPOMSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939216023 699387847 /nfs/dbraw/zinc/38/78/47/699387847.db2.gz RJQGBEGZAOQCIY-PXAZEXFGSA-N 2 2 341.390 1.600 20 30 EDEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941640858 701599693 /nfs/dbraw/zinc/59/96/93/701599693.db2.gz GRNVYQIBAGLMNX-UHFFFAOYSA-N 2 2 343.475 1.166 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000939465031 699598377 /nfs/dbraw/zinc/59/83/77/699598377.db2.gz WQSZHQHKGCGBDA-PBHICJAKSA-N 2 2 325.416 1.894 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000939533816 699671902 /nfs/dbraw/zinc/67/19/02/699671902.db2.gz FPNARNQOYRDHKI-KBXCAEBGSA-N 2 2 337.427 1.471 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996192454 702619107 /nfs/dbraw/zinc/61/91/07/702619107.db2.gz RCVQFSQUWWNOLP-IAGOWNOFSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996192454 702619109 /nfs/dbraw/zinc/61/91/09/702619109.db2.gz RCVQFSQUWWNOLP-IAGOWNOFSA-N 2 2 333.476 1.090 20 30 EDEDLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996356299 702733762 /nfs/dbraw/zinc/73/37/62/702733762.db2.gz RNVLBLSVIQKRFV-QGZVFWFLSA-N 2 2 337.427 1.851 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997187578 703477256 /nfs/dbraw/zinc/47/72/56/703477256.db2.gz RGFZNQUVFQBJHQ-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999803110 707374033 /nfs/dbraw/zinc/37/40/33/707374033.db2.gz YMJKHSDQVKDOHE-ZWKOTPCHSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999803110 707374037 /nfs/dbraw/zinc/37/40/37/707374037.db2.gz YMJKHSDQVKDOHE-ZWKOTPCHSA-N 2 2 335.492 1.644 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001032827144 709291255 /nfs/dbraw/zinc/29/12/55/709291255.db2.gz JICQYNCVNAUUTM-SXLOBPIMSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001032827144 709291258 /nfs/dbraw/zinc/29/12/58/709291258.db2.gz JICQYNCVNAUUTM-SXLOBPIMSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001032827144 709291262 /nfs/dbraw/zinc/29/12/62/709291262.db2.gz JICQYNCVNAUUTM-SXLOBPIMSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001032827144 709291267 /nfs/dbraw/zinc/29/12/67/709291267.db2.gz JICQYNCVNAUUTM-SXLOBPIMSA-N 2 2 337.467 1.962 20 30 EDEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001043993672 709897806 /nfs/dbraw/zinc/89/78/06/709897806.db2.gz KQFSCZCURQTZIE-UHFFFAOYSA-N 2 2 335.492 1.740 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468658 710075751 /nfs/dbraw/zinc/07/57/51/710075751.db2.gz SJHDVLLLAWLLLA-QGZVFWFLSA-N 2 2 337.427 1.875 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468658 710075757 /nfs/dbraw/zinc/07/57/57/710075757.db2.gz SJHDVLLLAWLLLA-QGZVFWFLSA-N 2 2 337.427 1.875 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943125 710915131 /nfs/dbraw/zinc/91/51/31/710915131.db2.gz BYYDSWIYVNFUBQ-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943125 710915134 /nfs/dbraw/zinc/91/51/34/710915134.db2.gz BYYDSWIYVNFUBQ-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943125 710915135 /nfs/dbraw/zinc/91/51/35/710915135.db2.gz BYYDSWIYVNFUBQ-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943125 710915138 /nfs/dbraw/zinc/91/51/38/710915138.db2.gz BYYDSWIYVNFUBQ-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001034956421 711425966 /nfs/dbraw/zinc/42/59/66/711425966.db2.gz QQYWIHBTLGJBSA-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001034956421 711425969 /nfs/dbraw/zinc/42/59/69/711425969.db2.gz QQYWIHBTLGJBSA-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581979 712014853 /nfs/dbraw/zinc/01/48/53/712014853.db2.gz VCMAUVLGKLWYBU-YJBOKZPZSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581979 712014856 /nfs/dbraw/zinc/01/48/56/712014856.db2.gz VCMAUVLGKLWYBU-YJBOKZPZSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581979 712014858 /nfs/dbraw/zinc/01/48/58/712014858.db2.gz VCMAUVLGKLWYBU-YJBOKZPZSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581979 712014860 /nfs/dbraw/zinc/01/48/60/712014860.db2.gz VCMAUVLGKLWYBU-YJBOKZPZSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001033155132 712190431 /nfs/dbraw/zinc/19/04/31/712190431.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033155132 712190434 /nfs/dbraw/zinc/19/04/34/712190434.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033155132 712190436 /nfs/dbraw/zinc/19/04/36/712190436.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033155132 712190438 /nfs/dbraw/zinc/19/04/38/712190438.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 2 346.500 1.582 20 30 EDEDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329218311 539420515 /nfs/dbraw/zinc/42/05/15/539420515.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329218311 539420522 /nfs/dbraw/zinc/42/05/22/539420522.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329218311 539420526 /nfs/dbraw/zinc/42/05/26/539420526.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000329218311 539420533 /nfs/dbraw/zinc/42/05/33/539420533.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 2 339.528 1.246 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000123676114 237143345 /nfs/dbraw/zinc/14/33/45/237143345.db2.gz CLCYXDCHXVACLW-KDOFPFPSSA-N 2 2 329.448 1.483 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000123676114 237143356 /nfs/dbraw/zinc/14/33/56/237143356.db2.gz CLCYXDCHXVACLW-KDOFPFPSSA-N 2 2 329.448 1.483 20 30 EDEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246403394 139107112 /nfs/dbraw/zinc/10/71/12/139107112.db2.gz JOCLUZAHYHBGNO-ZFWWWQNUSA-N 2 2 332.473 1.999 20 30 EDEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246403394 139107113 /nfs/dbraw/zinc/10/71/13/139107113.db2.gz JOCLUZAHYHBGNO-ZFWWWQNUSA-N 2 2 332.473 1.999 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246403394 139107114 /nfs/dbraw/zinc/10/71/14/139107114.db2.gz JOCLUZAHYHBGNO-ZFWWWQNUSA-N 2 2 332.473 1.999 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246403394 139107115 /nfs/dbraw/zinc/10/71/15/139107115.db2.gz JOCLUZAHYHBGNO-ZFWWWQNUSA-N 2 2 332.473 1.999 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)N(C)CCC#N ZINC000353046275 250081242 /nfs/dbraw/zinc/08/12/42/250081242.db2.gz SUFCIOOXBPZUHI-KGLIPLIRSA-N 2 2 331.464 1.846 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000490719411 255102487 /nfs/dbraw/zinc/10/24/87/255102487.db2.gz MNQPVKNPCQQYTO-RBUKOAKNSA-N 2 2 325.456 1.690 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC000490778224 255106216 /nfs/dbraw/zinc/10/62/16/255106216.db2.gz BWYQXDHROMAHNK-GOSISDBHSA-N 2 2 341.455 1.262 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC000490778224 255106218 /nfs/dbraw/zinc/10/62/18/255106218.db2.gz BWYQXDHROMAHNK-GOSISDBHSA-N 2 2 341.455 1.262 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000352863112 149194120 /nfs/dbraw/zinc/19/41/20/149194120.db2.gz SNXGCDBECRUHJA-WCQYABFASA-N 2 2 334.424 1.450 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330614898 276134945 /nfs/dbraw/zinc/13/49/45/276134945.db2.gz BTMRKQCYZAAYCB-IRXDYDNUSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330614898 276134947 /nfs/dbraw/zinc/13/49/47/276134947.db2.gz BTMRKQCYZAAYCB-IRXDYDNUSA-N 2 2 349.523 1.095 20 30 EDEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)C[C@H]1CCCO1 ZINC000349070741 289151183 /nfs/dbraw/zinc/15/11/83/289151183.db2.gz CXCZZJUPYIIZQU-QGZVFWFLSA-N 2 2 327.432 1.749 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000081666141 441301445 /nfs/dbraw/zinc/30/14/45/441301445.db2.gz MZGIDVJCPUKEJX-KRWDZBQOSA-N 2 2 338.455 1.719 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000081666141 441301448 /nfs/dbraw/zinc/30/14/48/441301448.db2.gz MZGIDVJCPUKEJX-KRWDZBQOSA-N 2 2 338.455 1.719 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000125763860 442046391 /nfs/dbraw/zinc/04/63/91/442046391.db2.gz OMZAORJSKLBFEY-MRXNPFEDSA-N 2 2 329.444 1.032 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000125763860 442046395 /nfs/dbraw/zinc/04/63/95/442046395.db2.gz OMZAORJSKLBFEY-MRXNPFEDSA-N 2 2 329.444 1.032 20 30 EDEDLP C=CCSCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171207553 442328286 /nfs/dbraw/zinc/32/82/86/442328286.db2.gz FWDFRTPJVJVEGX-UHFFFAOYSA-N 2 2 340.537 1.763 20 30 EDEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000190608412 443148124 /nfs/dbraw/zinc/14/81/24/443148124.db2.gz MMZILAOPSRFSJQ-BMGDILEWSA-N 2 2 326.444 1.731 20 30 EDEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000190608412 443148129 /nfs/dbraw/zinc/14/81/29/443148129.db2.gz MMZILAOPSRFSJQ-BMGDILEWSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261655948 443163279 /nfs/dbraw/zinc/16/32/79/443163279.db2.gz ADFPKOVEIJSOPV-GDBMZVCRSA-N 3 2 329.452 1.547 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000295425523 444183374 /nfs/dbraw/zinc/18/33/74/444183374.db2.gz FIGRQOAADFWOBA-UHFFFAOYSA-N 2 2 344.419 1.832 20 30 EDEDLP C#Cc1ccccc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000290766850 444320784 /nfs/dbraw/zinc/32/07/84/444320784.db2.gz ZVANYSVMOWESOW-UHFFFAOYSA-N 2 2 339.483 1.885 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000328665231 444420587 /nfs/dbraw/zinc/42/05/87/444420587.db2.gz YZWUBLVJMCFCGA-HOCLYGCPSA-N 2 2 348.495 1.208 20 30 EDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328856287 444376989 /nfs/dbraw/zinc/37/69/89/444376989.db2.gz XVBLYQXTQQUMJT-HOTGVXAUSA-N 2 2 347.463 1.156 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328865162 444380825 /nfs/dbraw/zinc/38/08/25/444380825.db2.gz NFKVXCOSPXSYFL-UONOGXRCSA-N 2 2 328.420 1.898 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000328870143 444382691 /nfs/dbraw/zinc/38/26/91/444382691.db2.gz PLHAHCHSJDGQGH-CJNGLKHVSA-N 2 2 337.493 1.561 20 30 EDEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000329077413 444466186 /nfs/dbraw/zinc/46/61/86/444466186.db2.gz BDCXHDRKXHJDBZ-HNNXBMFYSA-N 2 2 349.479 1.309 20 30 EDEDLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000329077413 444466189 /nfs/dbraw/zinc/46/61/89/444466189.db2.gz BDCXHDRKXHJDBZ-HNNXBMFYSA-N 2 2 349.479 1.309 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@@H](C)C2)C1 ZINC000328699687 444434449 /nfs/dbraw/zinc/43/44/49/444434449.db2.gz VTFDLWVTJBIQIZ-JKSUJKDBSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@@H](C)C2)C1 ZINC000328699687 444434452 /nfs/dbraw/zinc/43/44/52/444434452.db2.gz VTFDLWVTJBIQIZ-JKSUJKDBSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000328699687 444434455 /nfs/dbraw/zinc/43/44/55/444434455.db2.gz VTFDLWVTJBIQIZ-JKSUJKDBSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000328699687 444434457 /nfs/dbraw/zinc/43/44/57/444434457.db2.gz VTFDLWVTJBIQIZ-JKSUJKDBSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@H](C)C2)C1 ZINC000328699686 444434481 /nfs/dbraw/zinc/43/44/81/444434481.db2.gz VTFDLWVTJBIQIZ-HZPDHXFCSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOC[C@H](C)C2)C1 ZINC000328699686 444434485 /nfs/dbraw/zinc/43/44/85/444434485.db2.gz VTFDLWVTJBIQIZ-HZPDHXFCSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000328699686 444434487 /nfs/dbraw/zinc/43/44/87/444434487.db2.gz VTFDLWVTJBIQIZ-HZPDHXFCSA-N 2 2 327.469 1.268 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCOC[C@H](C)C2)C1 ZINC000328699686 444434491 /nfs/dbraw/zinc/43/44/91/444434491.db2.gz VTFDLWVTJBIQIZ-HZPDHXFCSA-N 2 2 327.469 1.268 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329131276 444480150 /nfs/dbraw/zinc/48/01/50/444480150.db2.gz OSUOUHJLEPKUME-BMFZPTHFSA-N 2 2 335.452 1.147 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329131276 444480151 /nfs/dbraw/zinc/48/01/51/444480151.db2.gz OSUOUHJLEPKUME-BMFZPTHFSA-N 2 2 335.452 1.147 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329131276 444480153 /nfs/dbraw/zinc/48/01/53/444480153.db2.gz OSUOUHJLEPKUME-BMFZPTHFSA-N 2 2 335.452 1.147 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329131276 444480155 /nfs/dbraw/zinc/48/01/55/444480155.db2.gz OSUOUHJLEPKUME-BMFZPTHFSA-N 2 2 335.452 1.147 20 30 EDEDLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H]1[NH+](C)C ZINC000329342876 444542334 /nfs/dbraw/zinc/54/23/34/444542334.db2.gz PTBONGXXMQLSDR-BMFZPTHFSA-N 2 2 349.479 1.684 20 30 EDEDLP Cn1cc(N2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000329954740 444785701 /nfs/dbraw/zinc/78/57/01/444785701.db2.gz ONGYRIOLGNBRDB-UHFFFAOYSA-N 2 2 346.479 1.125 20 30 EDEDLP C=C1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000341996607 445114326 /nfs/dbraw/zinc/11/43/26/445114326.db2.gz SJWDQIBRNYRHAS-UHFFFAOYSA-N 2 2 335.492 1.790 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346910655 445227673 /nfs/dbraw/zinc/22/76/73/445227673.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346910655 445227675 /nfs/dbraw/zinc/22/76/75/445227675.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346910655 445227676 /nfs/dbraw/zinc/22/76/76/445227676.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346910655 445227678 /nfs/dbraw/zinc/22/76/78/445227678.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 2 333.480 1.426 20 30 EDEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000356876908 446088847 /nfs/dbraw/zinc/08/88/47/446088847.db2.gz PLZCKLOLCUBLSO-GOSISDBHSA-N 2 2 344.459 1.564 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373904865 446340947 /nfs/dbraw/zinc/34/09/47/446340947.db2.gz JIGKPPNGUHQOEB-QXAKKESOSA-N 2 2 349.519 1.985 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373904865 446340949 /nfs/dbraw/zinc/34/09/49/446340949.db2.gz JIGKPPNGUHQOEB-QXAKKESOSA-N 2 2 349.519 1.985 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000491166314 447946620 /nfs/dbraw/zinc/94/66/20/447946620.db2.gz RBUFGGMAFKCMLI-OAHLLOKOSA-N 2 2 337.489 1.557 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000491166314 447946623 /nfs/dbraw/zinc/94/66/23/447946623.db2.gz RBUFGGMAFKCMLI-OAHLLOKOSA-N 2 2 337.489 1.557 20 30 EDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CC#N)CC1 ZINC000582440453 448240837 /nfs/dbraw/zinc/24/08/37/448240837.db2.gz QTFUFOOSFCRSAX-MRXNPFEDSA-N 2 2 341.459 1.744 20 30 EDEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577602712 448338286 /nfs/dbraw/zinc/33/82/86/448338286.db2.gz KKYILFFWZXGXSL-HNNXBMFYSA-N 2 2 336.461 1.048 20 30 EDEDLP CCC[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000577602712 448338292 /nfs/dbraw/zinc/33/82/92/448338292.db2.gz KKYILFFWZXGXSL-HNNXBMFYSA-N 2 2 336.461 1.048 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573109 448495468 /nfs/dbraw/zinc/49/54/68/448495468.db2.gz GFILXJJIWVDYJN-CYBMUJFWSA-N 2 2 331.420 1.358 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1C#N ZINC000566806372 448563513 /nfs/dbraw/zinc/56/35/13/448563513.db2.gz QTRFGOKVSGJSRQ-UHFFFAOYSA-N 2 2 337.387 1.642 20 30 EDEDLP C(#CC[N@@H+]1CCOC[C@@H]1C1CCC1)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000517140301 448543102 /nfs/dbraw/zinc/54/31/02/448543102.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C(#CC[N@H+]1CCOC[C@@H]1C1CCC1)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000517140301 448543108 /nfs/dbraw/zinc/54/31/08/448543108.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C(#CC[N@@H+]1CCOC[C@H]1C1CCC1)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000517140301 448543112 /nfs/dbraw/zinc/54/31/12/448543112.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C(#CC[N@H+]1CCOC[C@H]1C1CCC1)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000517140301 448543119 /nfs/dbraw/zinc/54/31/19/448543119.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000592510471 448871516 /nfs/dbraw/zinc/87/15/16/448871516.db2.gz ALJSEMGRPJLTIQ-UHFFFAOYSA-N 2 2 328.460 1.952 20 30 EDEDLP N#CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595612557 449078512 /nfs/dbraw/zinc/07/85/12/449078512.db2.gz XYVJNRGGQNIIED-LJQANCHMSA-N 2 2 340.471 1.956 20 30 EDEDLP N#CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595612557 449078516 /nfs/dbraw/zinc/07/85/16/449078516.db2.gz XYVJNRGGQNIIED-LJQANCHMSA-N 2 2 340.471 1.956 20 30 EDEDLP Cc1ccc(N2CCC(C(=O)NC3(C#N)CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000604327361 449206563 /nfs/dbraw/zinc/20/65/63/449206563.db2.gz GDRQFSVHKFKYDT-UHFFFAOYSA-N 2 2 341.459 1.711 20 30 EDEDLP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000600724967 449518965 /nfs/dbraw/zinc/51/89/65/449518965.db2.gz VIPIJNUYDGUTOP-SFHVURJKSA-N 3 2 343.475 1.238 20 30 EDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000598720208 449562048 /nfs/dbraw/zinc/56/20/48/449562048.db2.gz LYSJUFRKWPLATQ-SFHVURJKSA-N 3 2 345.491 1.484 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601116736 449699820 /nfs/dbraw/zinc/69/98/20/449699820.db2.gz PNVQOLIPKVLKBA-AWEZNQCLSA-N 2 2 326.448 1.806 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601116736 449699827 /nfs/dbraw/zinc/69/98/27/449699827.db2.gz PNVQOLIPKVLKBA-AWEZNQCLSA-N 2 2 326.448 1.806 20 30 EDEDLP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C#N ZINC000599339046 449905629 /nfs/dbraw/zinc/90/56/29/449905629.db2.gz FBVGBIOEFSYHPL-GOSISDBHSA-N 2 2 326.444 1.781 20 30 EDEDLP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C#N ZINC000599339046 449905635 /nfs/dbraw/zinc/90/56/35/449905635.db2.gz FBVGBIOEFSYHPL-GOSISDBHSA-N 2 2 326.444 1.781 20 30 EDEDLP CC#CC[NH2+]Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641181195 451771081 /nfs/dbraw/zinc/77/10/81/451771081.db2.gz SZRHADTUBCUQTD-UHFFFAOYSA-N 2 2 339.443 1.272 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC[NH2+]1 ZINC000662674585 453390301 /nfs/dbraw/zinc/39/03/01/453390301.db2.gz CYLXSLOJFSONDB-SFHVURJKSA-N 2 2 330.432 1.233 20 30 EDEDLP CON=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779680 578727934 /nfs/dbraw/zinc/72/79/34/578727934.db2.gz GDFIKJVVSPLMDC-KRWDZBQOSA-N 2 2 344.459 1.565 20 30 EDEDLP CON=Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779680 578727935 /nfs/dbraw/zinc/72/79/35/578727935.db2.gz GDFIKJVVSPLMDC-KRWDZBQOSA-N 2 2 344.459 1.565 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000747809968 579659081 /nfs/dbraw/zinc/65/90/81/579659081.db2.gz GBKWPLZOWUBBCA-UHFFFAOYSA-N 2 2 344.419 1.832 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC000748818868 579701963 /nfs/dbraw/zinc/70/19/63/579701963.db2.gz ZKABKHQZKOWOQY-HXUWFJFHSA-N 2 2 325.456 1.605 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000748824079 579702508 /nfs/dbraw/zinc/70/25/08/579702508.db2.gz HSJQSDSRSANUJK-APWZRJJASA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000748824079 579702510 /nfs/dbraw/zinc/70/25/10/579702510.db2.gz HSJQSDSRSANUJK-APWZRJJASA-N 2 2 343.446 1.986 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc(F)c3F)cn2)CC1 ZINC000755748893 579934039 /nfs/dbraw/zinc/93/40/39/579934039.db2.gz FIJZGAKNKJXFLH-UHFFFAOYSA-N 2 2 332.358 1.953 20 30 EDEDLP NC(=[NH+]OCCCCCCO)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000762461709 580074788 /nfs/dbraw/zinc/07/47/88/580074788.db2.gz FWFSZDKQWPWAHD-UHFFFAOYSA-N 2 2 335.448 1.708 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000768946700 580224808 /nfs/dbraw/zinc/22/48/08/580224808.db2.gz QRTSHXQZLUEBQQ-CVEARBPZSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000768946700 580224809 /nfs/dbraw/zinc/22/48/09/580224809.db2.gz QRTSHXQZLUEBQQ-CVEARBPZSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000768946700 580224810 /nfs/dbraw/zinc/22/48/10/580224810.db2.gz QRTSHXQZLUEBQQ-CVEARBPZSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000768946700 580224811 /nfs/dbraw/zinc/22/48/11/580224811.db2.gz QRTSHXQZLUEBQQ-CVEARBPZSA-N 2 2 330.432 1.113 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(OC)cc32)CC1 ZINC000891614173 591150595 /nfs/dbraw/zinc/15/05/95/591150595.db2.gz DFCWZOWPRIQVIH-UHFFFAOYSA-N 2 2 340.427 1.668 20 30 EDEDLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000899251535 591750481 /nfs/dbraw/zinc/75/04/81/591750481.db2.gz APAKCYMSTJDQSL-ALKREAHSSA-N 2 2 338.411 1.074 20 30 EDEDLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000899251535 591750485 /nfs/dbraw/zinc/75/04/85/591750485.db2.gz APAKCYMSTJDQSL-ALKREAHSSA-N 2 2 338.411 1.074 20 30 EDEDLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000899251535 591750486 /nfs/dbraw/zinc/75/04/86/591750486.db2.gz APAKCYMSTJDQSL-ALKREAHSSA-N 2 2 338.411 1.074 20 30 EDEDLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000899251535 591750488 /nfs/dbraw/zinc/75/04/88/591750488.db2.gz APAKCYMSTJDQSL-ALKREAHSSA-N 2 2 338.411 1.074 20 30 EDEDLP CC(C)(C[NH3+])C1CCN(c2[nH+]cnc3c2cnn3CCC#N)CC1 ZINC000900407902 592010656 /nfs/dbraw/zinc/01/06/56/592010656.db2.gz KNWWUWBTZRJEAV-UHFFFAOYSA-N 2 2 327.436 1.941 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000905455497 592540677 /nfs/dbraw/zinc/54/06/77/592540677.db2.gz YQEILIGKFPLOOO-QZTJIDSGSA-N 2 2 327.432 1.420 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619893 592587166 /nfs/dbraw/zinc/58/71/66/592587166.db2.gz NTKKUVGKJMMVJF-QZTJIDSGSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905619893 592587168 /nfs/dbraw/zinc/58/71/68/592587168.db2.gz NTKKUVGKJMMVJF-QZTJIDSGSA-N 2 2 345.443 1.141 20 30 EDEDLP COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000827414414 594669675 /nfs/dbraw/zinc/66/96/75/594669675.db2.gz UDPPPBJTTGYCEX-MRXNPFEDSA-N 2 2 342.443 1.465 20 30 EDEDLP COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000827414414 594669676 /nfs/dbraw/zinc/66/96/76/594669676.db2.gz UDPPPBJTTGYCEX-MRXNPFEDSA-N 2 2 342.443 1.465 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844705538 595379146 /nfs/dbraw/zinc/37/91/46/595379146.db2.gz UFXVNLRTAIUVBG-WDSOQIARSA-N 2 2 325.456 1.878 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844705538 595379148 /nfs/dbraw/zinc/37/91/48/595379148.db2.gz UFXVNLRTAIUVBG-WDSOQIARSA-N 2 2 325.456 1.878 20 30 EDEDLP C#C[C@H](C)[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844705538 595379150 /nfs/dbraw/zinc/37/91/50/595379150.db2.gz UFXVNLRTAIUVBG-WDSOQIARSA-N 2 2 325.456 1.878 20 30 EDEDLP C#C[C@H](C)[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844705538 595379152 /nfs/dbraw/zinc/37/91/52/595379152.db2.gz UFXVNLRTAIUVBG-WDSOQIARSA-N 2 2 325.456 1.878 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864659138 596299717 /nfs/dbraw/zinc/29/97/17/596299717.db2.gz CMCLGTJHURYOTL-QGZVFWFLSA-N 2 2 339.399 1.049 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864659138 596299719 /nfs/dbraw/zinc/29/97/19/596299719.db2.gz CMCLGTJHURYOTL-QGZVFWFLSA-N 2 2 339.399 1.049 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@]3(C#N)CCCOC3)c2)CC1 ZINC000870664844 596314341 /nfs/dbraw/zinc/31/43/41/596314341.db2.gz ASDBBNDQRJRDTC-QGZVFWFLSA-N 2 2 329.404 1.092 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870993218 596432367 /nfs/dbraw/zinc/43/23/67/596432367.db2.gz WRHSEGXKIQOOKC-INIZCTEOSA-N 2 2 344.484 1.349 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870993218 596432369 /nfs/dbraw/zinc/43/23/69/596432369.db2.gz WRHSEGXKIQOOKC-INIZCTEOSA-N 2 2 344.484 1.349 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(CC3CC3)no2)cc1 ZINC000871735687 596681616 /nfs/dbraw/zinc/68/16/16/596681616.db2.gz VCHJGFSQXZCCFU-UHFFFAOYSA-N 2 2 329.404 1.921 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876721033 597304802 /nfs/dbraw/zinc/30/48/02/597304802.db2.gz PGZJMJZJUDRESR-INIZCTEOSA-N 2 2 337.851 1.605 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]21 ZINC000992853584 695409277 /nfs/dbraw/zinc/40/92/77/695409277.db2.gz KJPYLCHXARCKCR-KBAYOESNSA-N 2 2 349.438 1.731 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994156115 696547490 /nfs/dbraw/zinc/54/74/90/696547490.db2.gz GBPKFPMDJWWXBO-RDJZCZTQSA-N 2 2 337.427 1.873 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994156115 696547491 /nfs/dbraw/zinc/54/74/91/696547491.db2.gz GBPKFPMDJWWXBO-RDJZCZTQSA-N 2 2 337.427 1.873 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000917199113 696969545 /nfs/dbraw/zinc/96/95/45/696969545.db2.gz SGFYMFTUEQAPJG-QLFBSQMISA-N 2 2 333.395 1.375 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000917199113 696969547 /nfs/dbraw/zinc/96/95/47/696969547.db2.gz SGFYMFTUEQAPJG-QLFBSQMISA-N 2 2 333.395 1.375 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)s1 ZINC001031812926 699487849 /nfs/dbraw/zinc/48/78/49/699487849.db2.gz LUFSPAZQKPSCEZ-UHFFFAOYSA-N 2 2 344.484 1.796 20 30 EDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001032182864 702213319 /nfs/dbraw/zinc/21/33/19/702213319.db2.gz TUFCNXMZKZSNOL-OAHLLOKOSA-N 2 2 330.407 1.197 20 30 EDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001032182864 702213324 /nfs/dbraw/zinc/21/33/24/702213324.db2.gz TUFCNXMZKZSNOL-OAHLLOKOSA-N 2 2 330.407 1.197 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nocc2C)C(C)(C)C1 ZINC000995922336 702246286 /nfs/dbraw/zinc/24/62/86/702246286.db2.gz KNYOVDKKEXWJNH-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nocc2C)C(C)(C)C1 ZINC000995922336 702246289 /nfs/dbraw/zinc/24/62/89/702246289.db2.gz KNYOVDKKEXWJNH-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996687463 702984627 /nfs/dbraw/zinc/98/46/27/702984627.db2.gz WOCKPNFGXLLPIH-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996687463 702984629 /nfs/dbraw/zinc/98/46/29/702984629.db2.gz WOCKPNFGXLLPIH-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP C=CCN1CC[NH+](C2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000996796429 703080805 /nfs/dbraw/zinc/08/08/05/703080805.db2.gz ZTBCWGCNPCLHQB-UHFFFAOYSA-N 2 2 345.491 1.194 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945089091 705041873 /nfs/dbraw/zinc/04/18/73/705041873.db2.gz FIRMOMSURZIRIW-ZBFHGGJFSA-N 2 2 331.485 1.566 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945089091 705041876 /nfs/dbraw/zinc/04/18/76/705041876.db2.gz FIRMOMSURZIRIW-ZBFHGGJFSA-N 2 2 331.485 1.566 20 30 EDEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945089091 705041881 /nfs/dbraw/zinc/04/18/81/705041881.db2.gz FIRMOMSURZIRIW-ZBFHGGJFSA-N 2 2 331.485 1.566 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998265433 705632694 /nfs/dbraw/zinc/63/26/94/705632694.db2.gz HWJCSZUGMNARHZ-STQMWFEESA-N 2 2 330.354 1.897 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265433 705632700 /nfs/dbraw/zinc/63/27/00/705632700.db2.gz HWJCSZUGMNARHZ-STQMWFEESA-N 2 2 330.354 1.897 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786642 707336085 /nfs/dbraw/zinc/33/60/85/707336085.db2.gz MGPHSWYKYGZMLF-XMTFNYHQSA-N 2 2 340.471 1.717 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786642 707336091 /nfs/dbraw/zinc/33/60/91/707336091.db2.gz MGPHSWYKYGZMLF-XMTFNYHQSA-N 2 2 340.471 1.717 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)CC1 ZINC001032801650 708084378 /nfs/dbraw/zinc/08/43/78/708084378.db2.gz IHIWENSKUKSAIH-OALUTQOASA-N 2 2 338.455 1.212 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)CC1 ZINC001032801650 708084380 /nfs/dbraw/zinc/08/43/80/708084380.db2.gz IHIWENSKUKSAIH-OALUTQOASA-N 2 2 338.455 1.212 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009517 709220802 /nfs/dbraw/zinc/22/08/02/709220802.db2.gz LGKXHJXFHQFEKS-KRWDZBQOSA-N 2 2 337.427 1.827 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009517 709220804 /nfs/dbraw/zinc/22/08/04/709220804.db2.gz LGKXHJXFHQFEKS-KRWDZBQOSA-N 2 2 337.427 1.827 20 30 EDEDLP C=C(Br)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525886 710176775 /nfs/dbraw/zinc/17/67/75/710176775.db2.gz QZCDVMXIBNYCBT-KGLIPLIRSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525886 710176777 /nfs/dbraw/zinc/17/67/77/710176777.db2.gz QZCDVMXIBNYCBT-KGLIPLIRSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525886 710176778 /nfs/dbraw/zinc/17/67/78/710176778.db2.gz QZCDVMXIBNYCBT-KGLIPLIRSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525886 710176780 /nfs/dbraw/zinc/17/67/80/710176780.db2.gz QZCDVMXIBNYCBT-KGLIPLIRSA-N 2 2 344.297 1.817 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378464 710297408 /nfs/dbraw/zinc/29/74/08/710297408.db2.gz QOBVPBRJEBMPEM-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378464 710297411 /nfs/dbraw/zinc/29/74/11/710297411.db2.gz QOBVPBRJEBMPEM-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003970914 711121314 /nfs/dbraw/zinc/12/13/14/711121314.db2.gz OASKAMSIUKLBQN-UHFFFAOYSA-N 2 2 343.456 1.677 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cscn1 ZINC000329116733 539409115 /nfs/dbraw/zinc/40/91/15/539409115.db2.gz NNGVIUDFTQPMJS-UHFFFAOYSA-N 2 2 325.482 1.515 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cscn1 ZINC000329116733 539409119 /nfs/dbraw/zinc/40/91/19/539409119.db2.gz NNGVIUDFTQPMJS-UHFFFAOYSA-N 2 2 325.482 1.515 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266946288 249351972 /nfs/dbraw/zinc/35/19/72/249351972.db2.gz SJDCOHDKUYERPN-HNNXBMFYSA-N 2 2 344.463 1.273 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000368914923 250201977 /nfs/dbraw/zinc/20/19/77/250201977.db2.gz RHMFNEORVXAVBA-OAHLLOKOSA-N 2 2 331.464 1.960 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(F)(c3cccnc3)CC2)CC1 ZINC000491071714 255118709 /nfs/dbraw/zinc/11/87/09/255118709.db2.gz MYHYNCWSNWECAM-UHFFFAOYSA-N 2 2 344.434 1.120 20 30 EDEDLP C#CCN(CC#CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490696068 255100349 /nfs/dbraw/zinc/10/03/49/255100349.db2.gz FVSAPPDJKLTSQZ-UHFFFAOYSA-N 2 2 330.476 1.213 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947912 255111933 /nfs/dbraw/zinc/11/19/33/255111933.db2.gz BHVJFOZFWMAQHK-ROUUACIJSA-N 3 2 346.519 1.006 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947912 255111934 /nfs/dbraw/zinc/11/19/34/255111934.db2.gz BHVJFOZFWMAQHK-ROUUACIJSA-N 3 2 346.519 1.006 20 30 EDEDLP C#CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000491673621 255138385 /nfs/dbraw/zinc/13/83/85/255138385.db2.gz UOUQXUFROQKJFX-UHFFFAOYSA-N 2 2 332.492 1.744 20 30 EDEDLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271577811 278263719 /nfs/dbraw/zinc/26/37/19/278263719.db2.gz BHSPEBGRMBNUCE-KRWDZBQOSA-N 2 2 328.460 1.397 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000162296644 442080855 /nfs/dbraw/zinc/08/08/55/442080855.db2.gz IERLGNFVZKVECL-GOSISDBHSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000162296644 442080861 /nfs/dbraw/zinc/08/08/61/442080861.db2.gz IERLGNFVZKVECL-GOSISDBHSA-N 2 2 342.443 1.175 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[NH+]2CCCC2)CC1=O ZINC000179229656 442601072 /nfs/dbraw/zinc/60/10/72/442601072.db2.gz RUQZMPMWQIVQBL-UHFFFAOYSA-N 2 2 339.443 1.742 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958211 442671969 /nfs/dbraw/zinc/67/19/69/442671969.db2.gz AHWNFZKVGDALOV-KRWDZBQOSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958211 442671973 /nfs/dbraw/zinc/67/19/73/442671973.db2.gz AHWNFZKVGDALOV-KRWDZBQOSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180958211 442671977 /nfs/dbraw/zinc/67/19/77/442671977.db2.gz AHWNFZKVGDALOV-KRWDZBQOSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180958211 442671980 /nfs/dbraw/zinc/67/19/80/442671980.db2.gz AHWNFZKVGDALOV-KRWDZBQOSA-N 2 2 338.540 1.757 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000249901395 443008580 /nfs/dbraw/zinc/00/85/80/443008580.db2.gz TYNXFJNTPHRDEP-KBXCAEBGSA-N 2 2 327.432 1.624 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000249901395 443008583 /nfs/dbraw/zinc/00/85/83/443008583.db2.gz TYNXFJNTPHRDEP-KBXCAEBGSA-N 2 2 327.432 1.624 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250292226 443012429 /nfs/dbraw/zinc/01/24/29/443012429.db2.gz UUUFTLUNJVRTLU-OKZBNKHCSA-N 2 2 349.523 1.237 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000566106817 321215452 /nfs/dbraw/zinc/21/54/52/321215452.db2.gz AECCUJCOKOXXJU-UHFFFAOYSA-N 2 2 333.457 1.548 20 30 EDEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294896690 444155650 /nfs/dbraw/zinc/15/56/50/444155650.db2.gz FIIPWEGOMKEQEU-KRWDZBQOSA-N 2 2 341.415 1.962 20 30 EDEDLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000321810465 444337677 /nfs/dbraw/zinc/33/76/77/444337677.db2.gz AUVUMZAEAAVQFT-UHFFFAOYSA-N 2 2 335.473 1.606 20 30 EDEDLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc2c[nH+]cn2c1 ZINC000328858107 444377768 /nfs/dbraw/zinc/37/77/68/444377768.db2.gz KWKMHXSTHXWALA-QGZVFWFLSA-N 2 2 346.456 1.847 20 30 EDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331525689 444475811 /nfs/dbraw/zinc/47/58/11/444475811.db2.gz WHTLSBHGOVIOCY-CVEARBPZSA-N 2 2 327.432 1.402 20 30 EDEDLP C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1=CC[N@H+](C)CC1 ZINC000329292959 444523566 /nfs/dbraw/zinc/52/35/66/444523566.db2.gz JCFOMMDSIMOFHZ-ZDUSSCGKSA-N 2 2 337.468 1.482 20 30 EDEDLP [O-]C(=[NH+]C1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329622195 444652562 /nfs/dbraw/zinc/65/25/62/444652562.db2.gz HDXJADDBZKIEHQ-AWEZNQCLSA-N 2 2 333.436 1.114 20 30 EDEDLP CCOC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)([NH+]2CCOCC2)C1 ZINC000329897580 444757575 /nfs/dbraw/zinc/75/75/75/444757575.db2.gz LLEPIJLHVPQUSE-ISXOHVOVSA-N 2 2 325.453 1.307 20 30 EDEDLP CCOC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)([NH+]2CCOCC2)C1 ZINC000329897580 444757581 /nfs/dbraw/zinc/75/75/81/444757581.db2.gz LLEPIJLHVPQUSE-ISXOHVOVSA-N 2 2 325.453 1.307 20 30 EDEDLP C[C@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC000329944139 444780983 /nfs/dbraw/zinc/78/09/83/444780983.db2.gz DYSKRPDJSPWFOA-HIFRSBDPSA-N 2 2 334.468 1.105 20 30 EDEDLP C[C@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC000329944139 444780985 /nfs/dbraw/zinc/78/09/85/444780985.db2.gz DYSKRPDJSPWFOA-HIFRSBDPSA-N 2 2 334.468 1.105 20 30 EDEDLP CC[NH+]1CCC(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000329973301 444794509 /nfs/dbraw/zinc/79/45/09/444794509.db2.gz WUBWUHPNKMKWMD-HNNXBMFYSA-N 2 2 334.468 1.107 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CC[N@@H+]1C ZINC000330081667 444837535 /nfs/dbraw/zinc/83/75/35/444837535.db2.gz GULKUUBMHLOFLF-OAGGEKHMSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CC[N@H+]1C ZINC000330081667 444837538 /nfs/dbraw/zinc/83/75/38/444837538.db2.gz GULKUUBMHLOFLF-OAGGEKHMSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000330081667 444837544 /nfs/dbraw/zinc/83/75/44/444837544.db2.gz GULKUUBMHLOFLF-OAGGEKHMSA-N 2 2 346.479 1.379 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000330081667 444837551 /nfs/dbraw/zinc/83/75/51/444837551.db2.gz GULKUUBMHLOFLF-OAGGEKHMSA-N 2 2 346.479 1.379 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000346425181 445214465 /nfs/dbraw/zinc/21/44/65/445214465.db2.gz VJYXKKIWSSWKQV-VEHMJYNQSA-N 2 2 347.503 1.737 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000346425181 445214467 /nfs/dbraw/zinc/21/44/67/445214467.db2.gz VJYXKKIWSSWKQV-VEHMJYNQSA-N 2 2 347.503 1.737 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000363492131 445830148 /nfs/dbraw/zinc/83/01/48/445830148.db2.gz YWEYUUJZKXDFRQ-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000363492131 445830152 /nfs/dbraw/zinc/83/01/52/445830152.db2.gz YWEYUUJZKXDFRQ-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000363492131 445830154 /nfs/dbraw/zinc/83/01/54/445830154.db2.gz YWEYUUJZKXDFRQ-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000363492131 445830158 /nfs/dbraw/zinc/83/01/58/445830158.db2.gz YWEYUUJZKXDFRQ-MBOZVWFJSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@H]1CN(c2nc3ccccn3c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000363699013 445870020 /nfs/dbraw/zinc/87/00/20/445870020.db2.gz KNOCUXUXKNGHET-HNNXBMFYSA-N 2 2 338.459 1.811 20 30 EDEDLP C[C@H]1CN(c2nc3ccccn3c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000363699013 445870023 /nfs/dbraw/zinc/87/00/23/445870023.db2.gz KNOCUXUXKNGHET-HNNXBMFYSA-N 2 2 338.459 1.811 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000369266752 446032494 /nfs/dbraw/zinc/03/24/94/446032494.db2.gz BQFVYIOZAPGAEQ-UHFFFAOYSA-N 2 2 333.407 1.356 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366176706 446064137 /nfs/dbraw/zinc/06/41/37/446064137.db2.gz GVBWPSVOOUJORU-KRWDZBQOSA-N 2 2 336.480 1.189 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366176706 446064145 /nfs/dbraw/zinc/06/41/45/446064145.db2.gz GVBWPSVOOUJORU-KRWDZBQOSA-N 2 2 336.480 1.189 20 30 EDEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370313535 446226318 /nfs/dbraw/zinc/22/63/18/446226318.db2.gz AUNIOHONUVGROF-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370313535 446226323 /nfs/dbraw/zinc/22/63/23/446226323.db2.gz AUNIOHONUVGROF-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000366619774 446282818 /nfs/dbraw/zinc/28/28/18/446282818.db2.gz JYWDWPRZZUHMJP-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C#N ZINC000366619774 446282823 /nfs/dbraw/zinc/28/28/23/446282823.db2.gz JYWDWPRZZUHMJP-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367619826 446568985 /nfs/dbraw/zinc/56/89/85/446568985.db2.gz WQBOUBHUQOCMHS-IEBWSBKVSA-N 2 2 348.535 1.676 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367619826 446568990 /nfs/dbraw/zinc/56/89/90/446568990.db2.gz WQBOUBHUQOCMHS-IEBWSBKVSA-N 2 2 348.535 1.676 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376595702 446595896 /nfs/dbraw/zinc/59/58/96/446595896.db2.gz QDANYZRLQLXYTA-AWEZNQCLSA-N 2 2 345.447 1.411 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376595702 446595899 /nfs/dbraw/zinc/59/58/99/446595899.db2.gz QDANYZRLQLXYTA-AWEZNQCLSA-N 2 2 345.447 1.411 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437872232 446769006 /nfs/dbraw/zinc/76/90/06/446769006.db2.gz XJRCNMPXLCGZIG-GOSISDBHSA-N 2 2 325.497 1.700 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437872232 446769012 /nfs/dbraw/zinc/76/90/12/446769012.db2.gz XJRCNMPXLCGZIG-GOSISDBHSA-N 2 2 325.497 1.700 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000576076597 447964441 /nfs/dbraw/zinc/96/44/41/447964441.db2.gz DLUUNAVMNWNWLL-MRXNPFEDSA-N 2 2 328.441 1.871 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000576076597 447964446 /nfs/dbraw/zinc/96/44/46/447964446.db2.gz DLUUNAVMNWNWLL-MRXNPFEDSA-N 2 2 328.441 1.871 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000491495944 448044903 /nfs/dbraw/zinc/04/49/03/448044903.db2.gz MOEOJPBXTWDHHY-OAHLLOKOSA-N 2 2 331.485 1.837 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000570955896 448085339 /nfs/dbraw/zinc/08/53/39/448085339.db2.gz KLOPCOFCMKEDPR-SFHVURJKSA-N 2 2 327.432 1.227 20 30 EDEDLP N#CCCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496997879 448108736 /nfs/dbraw/zinc/10/87/36/448108736.db2.gz OIQHVYNSMPGHCZ-SFHVURJKSA-N 2 2 332.448 1.876 20 30 EDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000591742799 448479142 /nfs/dbraw/zinc/47/91/42/448479142.db2.gz HTVJLXLOWSGPCV-MSOLQXFVSA-N 2 2 331.460 1.956 20 30 EDEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1C ZINC000573834570 448726211 /nfs/dbraw/zinc/72/62/11/448726211.db2.gz AWNNIYMEIIIXES-INIZCTEOSA-N 2 2 343.431 1.082 20 30 EDEDLP C[C@@]1(C#N)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000595839587 449201234 /nfs/dbraw/zinc/20/12/34/449201234.db2.gz JSVPVBSCKYOKKX-SFHVURJKSA-N 2 2 327.432 1.356 20 30 EDEDLP C[C@@]1(C#N)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000595839587 449201236 /nfs/dbraw/zinc/20/12/36/449201236.db2.gz JSVPVBSCKYOKKX-SFHVURJKSA-N 2 2 327.432 1.356 20 30 EDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602069785 449320828 /nfs/dbraw/zinc/32/08/28/449320828.db2.gz CPMLUZFKPSTMGO-IAGOWNOFSA-N 2 2 337.427 1.975 20 30 EDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602069785 449320837 /nfs/dbraw/zinc/32/08/37/449320837.db2.gz CPMLUZFKPSTMGO-IAGOWNOFSA-N 2 2 337.427 1.975 20 30 EDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000600717812 449515928 /nfs/dbraw/zinc/51/59/28/449515928.db2.gz NUDLNRRLOWEZDQ-JZXOWHBKSA-N 2 2 347.459 1.387 20 30 EDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000600717812 449515932 /nfs/dbraw/zinc/51/59/32/449515932.db2.gz NUDLNRRLOWEZDQ-JZXOWHBKSA-N 2 2 347.459 1.387 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594445797 449522089 /nfs/dbraw/zinc/52/20/89/449522089.db2.gz MFJBOUGJOSOFLL-QGZVFWFLSA-N 2 2 330.432 1.869 20 30 EDEDLP N#CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000612103908 449563556 /nfs/dbraw/zinc/56/35/56/449563556.db2.gz UGQWIFXMNNGEMJ-GOSISDBHSA-N 2 2 326.444 1.667 20 30 EDEDLP N#CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000612103908 449563560 /nfs/dbraw/zinc/56/35/60/449563560.db2.gz UGQWIFXMNNGEMJ-GOSISDBHSA-N 2 2 326.444 1.667 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599675030 450145955 /nfs/dbraw/zinc/14/59/55/450145955.db2.gz HIIOJAXPBOJPON-UHFFFAOYSA-N 2 2 340.471 1.711 20 30 EDEDLP C=CC[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC[NH2+]1 ZINC000638988858 451748401 /nfs/dbraw/zinc/74/84/01/451748401.db2.gz JDPTXNSYYKMLPV-GOSISDBHSA-N 2 2 346.500 1.949 20 30 EDEDLP CCNC(NCc1ccccc1OCC[NH+]1CCOCC1)=[NH+]CC ZINC000264071679 535786756 /nfs/dbraw/zinc/78/67/56/535786756.db2.gz DJLYEJDFOZOZGR-UHFFFAOYSA-N 2 2 334.464 1.473 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000730096401 578613916 /nfs/dbraw/zinc/61/39/16/578613916.db2.gz SRTDLUUNTSZZKW-IBGZPJMESA-N 2 2 325.456 1.737 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000730096401 578613917 /nfs/dbraw/zinc/61/39/17/578613917.db2.gz SRTDLUUNTSZZKW-IBGZPJMESA-N 2 2 325.456 1.737 20 30 EDEDLP CCC[NH+]1CCN(c2ccccc2C=[NH+]NC(=S)N(C)C)CC1 ZINC000731563138 578676004 /nfs/dbraw/zinc/67/60/04/578676004.db2.gz SVXFXPUSFGKMCZ-UHFFFAOYSA-N 2 2 333.505 1.989 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000760902372 580040959 /nfs/dbraw/zinc/04/09/59/580040959.db2.gz FHYGFJVOMWFXPM-QGZVFWFLSA-N 2 2 339.483 1.993 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000748823266 579702407 /nfs/dbraw/zinc/70/24/07/579702407.db2.gz PRCXOHGVGKKRAB-APWZRJJASA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000748823266 579702408 /nfs/dbraw/zinc/70/24/08/579702408.db2.gz PRCXOHGVGKKRAB-APWZRJJASA-N 2 2 343.446 1.986 20 30 EDEDLP C[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000766633201 580170801 /nfs/dbraw/zinc/17/08/01/580170801.db2.gz QFEZOEOXXHSKIY-RDTXWAMCSA-N 2 2 337.427 1.946 20 30 EDEDLP C[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000766633201 580170802 /nfs/dbraw/zinc/17/08/02/580170802.db2.gz QFEZOEOXXHSKIY-RDTXWAMCSA-N 2 2 337.427 1.946 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772809186 580321043 /nfs/dbraw/zinc/32/10/43/580321043.db2.gz KNOWUZHNWIQFMR-KRWDZBQOSA-N 2 2 327.428 1.857 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000772809186 580321044 /nfs/dbraw/zinc/32/10/44/580321044.db2.gz KNOWUZHNWIQFMR-KRWDZBQOSA-N 2 2 327.428 1.857 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC000784479851 580621929 /nfs/dbraw/zinc/62/19/29/580621929.db2.gz JQGPNBWVLGPHAG-IBGZPJMESA-N 2 2 325.456 1.562 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC000784479851 580621930 /nfs/dbraw/zinc/62/19/30/580621930.db2.gz JQGPNBWVLGPHAG-IBGZPJMESA-N 2 2 325.456 1.562 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000900287029 591972352 /nfs/dbraw/zinc/97/23/52/591972352.db2.gz DMTRVYSYSGWNBL-IBGZPJMESA-N 2 2 345.487 1.992 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787092 592063618 /nfs/dbraw/zinc/06/36/18/592063618.db2.gz XFUMSLOZJVFRLA-PBHICJAKSA-N 2 2 329.448 1.547 20 30 EDEDLP C=CCOc1ccc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc1OC ZINC000904494000 592266780 /nfs/dbraw/zinc/26/67/80/592266780.db2.gz DRPNPTMYMDGASR-HZPDHXFCSA-N 2 2 342.443 1.920 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c(OC)c1 ZINC000903860365 592348898 /nfs/dbraw/zinc/34/88/98/592348898.db2.gz RDSFDFXCOHMMAR-HLIPFELVSA-N 2 2 346.471 1.977 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c(OC)c1 ZINC000903860365 592348902 /nfs/dbraw/zinc/34/89/02/592348902.db2.gz RDSFDFXCOHMMAR-HLIPFELVSA-N 2 2 346.471 1.977 20 30 EDEDLP CC(C)N1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901417631 592357212 /nfs/dbraw/zinc/35/72/12/592357212.db2.gz RFPYQGWPWIFGNQ-YOENDLTHSA-N 2 2 325.416 1.914 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)c2cccc(OC)c2)CC1 ZINC000808762269 593286451 /nfs/dbraw/zinc/28/64/51/593286451.db2.gz YSGKJOBCWNFRQL-LJQANCHMSA-N 2 2 343.471 1.856 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)c2cccc(OC)c2)CC1 ZINC000808762269 593286453 /nfs/dbraw/zinc/28/64/53/593286453.db2.gz YSGKJOBCWNFRQL-LJQANCHMSA-N 2 2 343.471 1.856 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000820846931 593904175 /nfs/dbraw/zinc/90/41/75/593904175.db2.gz NREOSHYJBITDIL-UHFFFAOYSA-N 2 2 332.370 1.714 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000820846931 593904176 /nfs/dbraw/zinc/90/41/76/593904176.db2.gz NREOSHYJBITDIL-UHFFFAOYSA-N 2 2 332.370 1.714 20 30 EDEDLP C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798872 594266727 /nfs/dbraw/zinc/26/67/27/594266727.db2.gz GVPZLFVJMABCJX-MSOLQXFVSA-N 2 2 340.471 1.854 20 30 EDEDLP C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798872 594266728 /nfs/dbraw/zinc/26/67/28/594266728.db2.gz GVPZLFVJMABCJX-MSOLQXFVSA-N 2 2 340.471 1.854 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480129 595136497 /nfs/dbraw/zinc/13/64/97/595136497.db2.gz LKKXPBQKWFJGJQ-HYVNUMGLSA-N 2 2 330.407 1.408 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480129 595136500 /nfs/dbraw/zinc/13/65/00/595136500.db2.gz LKKXPBQKWFJGJQ-HYVNUMGLSA-N 2 2 330.407 1.408 20 30 EDEDLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852891102 595601488 /nfs/dbraw/zinc/60/14/88/595601488.db2.gz YCVAXZZCKBHPAX-HNNXBMFYSA-N 2 2 331.485 1.956 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000859633440 596151529 /nfs/dbraw/zinc/15/15/29/596151529.db2.gz ZCHJJIQIFNMHET-HNNXBMFYSA-N 2 2 345.443 1.132 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000876721034 597304669 /nfs/dbraw/zinc/30/46/69/597304669.db2.gz PGZJMJZJUDRESR-MRXNPFEDSA-N 2 2 337.851 1.605 20 30 EDEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000878002129 597568982 /nfs/dbraw/zinc/56/89/82/597568982.db2.gz OBZFRPARFDDLFQ-UHFFFAOYSA-N 2 2 326.444 1.757 20 30 EDEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000878002129 597568983 /nfs/dbraw/zinc/56/89/83/597568983.db2.gz OBZFRPARFDDLFQ-UHFFFAOYSA-N 2 2 326.444 1.757 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884049720 597978611 /nfs/dbraw/zinc/97/86/11/597978611.db2.gz BPGDUORLAYNCFK-OAHLLOKOSA-N 2 2 329.448 1.159 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884049720 597978613 /nfs/dbraw/zinc/97/86/13/597978613.db2.gz BPGDUORLAYNCFK-OAHLLOKOSA-N 2 2 329.448 1.159 20 30 EDEDLP Cc1cccn2cc(CCNC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)[nH+]c12 ZINC000884221982 598034141 /nfs/dbraw/zinc/03/41/41/598034141.db2.gz FHHUQWUCEOAMQN-HVEKOLDVSA-N 2 2 337.427 1.441 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884448646 598108457 /nfs/dbraw/zinc/10/84/57/598108457.db2.gz IYYCRIISZBLDMN-SJORKVTESA-N 2 2 345.443 1.071 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884448646 598108458 /nfs/dbraw/zinc/10/84/58/598108458.db2.gz IYYCRIISZBLDMN-SJORKVTESA-N 2 2 345.443 1.071 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994114592 696539187 /nfs/dbraw/zinc/53/91/87/696539187.db2.gz PCMWTGXRBYADJM-CRAIPNDOSA-N 2 2 337.427 1.873 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994114592 696539189 /nfs/dbraw/zinc/53/91/89/696539189.db2.gz PCMWTGXRBYADJM-CRAIPNDOSA-N 2 2 337.427 1.873 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000917199114 696969696 /nfs/dbraw/zinc/96/96/96/696969696.db2.gz SGFYMFTUEQAPJG-RBSFLKMASA-N 2 2 333.395 1.375 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C)nc2C)C1 ZINC001031740633 698311515 /nfs/dbraw/zinc/31/15/15/698311515.db2.gz HBXUDKSULRRLKW-IBGZPJMESA-N 2 2 340.471 1.344 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C)nc2C)C1 ZINC001031740633 698311516 /nfs/dbraw/zinc/31/15/16/698311516.db2.gz HBXUDKSULRRLKW-IBGZPJMESA-N 2 2 340.471 1.344 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939534310 699675119 /nfs/dbraw/zinc/67/51/19/699675119.db2.gz IXTHFQKXPTZVGN-GWCFXTLKSA-N 2 2 341.253 1.308 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000939536284 699677479 /nfs/dbraw/zinc/67/74/79/699677479.db2.gz VIYLBIWHUOMESS-RDTXWAMCSA-N 2 2 337.427 1.471 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995921204 702243425 /nfs/dbraw/zinc/24/34/25/702243425.db2.gz HHMRYXWVLCZJAW-GJZGRUSLSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995921204 702243429 /nfs/dbraw/zinc/24/34/29/702243429.db2.gz HHMRYXWVLCZJAW-GJZGRUSLSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996192457 702619128 /nfs/dbraw/zinc/61/91/28/702619128.db2.gz RCVQFSQUWWNOLP-IRXDYDNUSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996192457 702619130 /nfs/dbraw/zinc/61/91/30/702619130.db2.gz RCVQFSQUWWNOLP-IRXDYDNUSA-N 2 2 333.476 1.090 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996193952 702620049 /nfs/dbraw/zinc/62/00/49/702620049.db2.gz WPJIDKCVAQDHRU-IAGOWNOFSA-N 2 2 335.492 1.642 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996193952 702620053 /nfs/dbraw/zinc/62/00/53/702620053.db2.gz WPJIDKCVAQDHRU-IAGOWNOFSA-N 2 2 335.492 1.642 20 30 EDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297368 707412750 /nfs/dbraw/zinc/41/27/50/707412750.db2.gz MEKYOEOGKLZBII-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297368 707412751 /nfs/dbraw/zinc/41/27/51/707412751.db2.gz MEKYOEOGKLZBII-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297368 707412755 /nfs/dbraw/zinc/41/27/55/707412755.db2.gz MEKYOEOGKLZBII-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297368 707412759 /nfs/dbraw/zinc/41/27/59/707412759.db2.gz MEKYOEOGKLZBII-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756732 708280152 /nfs/dbraw/zinc/28/01/52/708280152.db2.gz JBHQHWHQTDIFOA-INIZCTEOSA-N 2 2 343.899 1.676 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756732 708280156 /nfs/dbraw/zinc/28/01/56/708280156.db2.gz JBHQHWHQTDIFOA-INIZCTEOSA-N 2 2 343.899 1.676 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033620134 708351762 /nfs/dbraw/zinc/35/17/62/708351762.db2.gz NYRRKEFAOSICEI-QGZVFWFLSA-N 2 2 337.427 1.865 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033620134 708351764 /nfs/dbraw/zinc/35/17/64/708351764.db2.gz NYRRKEFAOSICEI-QGZVFWFLSA-N 2 2 337.427 1.865 20 30 EDEDLP CC#CC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005427221 708980810 /nfs/dbraw/zinc/98/08/10/708980810.db2.gz VQVWAWBSWAIYEF-UHFFFAOYSA-N 2 2 328.460 1.708 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645690 712135857 /nfs/dbraw/zinc/13/58/57/712135857.db2.gz XHVUIODEFOZGEJ-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645690 712135859 /nfs/dbraw/zinc/13/58/59/712135859.db2.gz XHVUIODEFOZGEJ-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424173218 252152860 /nfs/dbraw/zinc/15/28/60/252152860.db2.gz NYIHAWXPGPYAKZ-OWCLPIDISA-N 2 2 336.386 1.847 20 30 EDEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000424173218 252152864 /nfs/dbraw/zinc/15/28/64/252152864.db2.gz NYIHAWXPGPYAKZ-OWCLPIDISA-N 2 2 336.386 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCN(C)c3ccccc32)CC1 ZINC000491703685 255143738 /nfs/dbraw/zinc/14/37/38/255143738.db2.gz NYFVPTRLAXOZNV-GOSISDBHSA-N 2 2 340.471 1.325 20 30 EDEDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000358155666 151290654 /nfs/dbraw/zinc/29/06/54/151290654.db2.gz FMLNLOLXPXGJOB-GOSISDBHSA-N 2 2 325.416 1.115 20 30 EDEDLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000358155666 151290656 /nfs/dbraw/zinc/29/06/56/151290656.db2.gz FMLNLOLXPXGJOB-GOSISDBHSA-N 2 2 325.416 1.115 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369598709 155104249 /nfs/dbraw/zinc/10/42/49/155104249.db2.gz BTWKZUWGJCIYOE-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369598709 155104251 /nfs/dbraw/zinc/10/42/51/155104251.db2.gz BTWKZUWGJCIYOE-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369598709 155104254 /nfs/dbraw/zinc/10/42/54/155104254.db2.gz BTWKZUWGJCIYOE-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369598709 155104257 /nfs/dbraw/zinc/10/42/57/155104257.db2.gz BTWKZUWGJCIYOE-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352833582 162259670 /nfs/dbraw/zinc/25/96/70/162259670.db2.gz JCRMKQPTSZLSCP-UHFFFAOYSA-N 2 2 343.456 1.596 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449965843 447422164 /nfs/dbraw/zinc/42/21/64/447422164.db2.gz OCYAHOUCUZFYLD-SJORKVTESA-N 2 2 335.492 1.644 20 30 EDEDLP CC[N@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000120172859 442021744 /nfs/dbraw/zinc/02/17/44/442021744.db2.gz YLNSTYSYGGSTFJ-UHFFFAOYSA-N 2 2 327.432 1.598 20 30 EDEDLP CC[N@@H+](C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000120172859 442021751 /nfs/dbraw/zinc/02/17/51/442021751.db2.gz YLNSTYSYGGSTFJ-UHFFFAOYSA-N 2 2 327.432 1.598 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(C#N)c3)CC2)CC1 ZINC000193016476 442705701 /nfs/dbraw/zinc/70/57/01/442705701.db2.gz MWYKIUQCKOLHKE-UHFFFAOYSA-N 2 2 327.432 1.242 20 30 EDEDLP C#CCOc1ccccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188085877 442709575 /nfs/dbraw/zinc/70/95/75/442709575.db2.gz KLFBBTKZNCRXQT-UHFFFAOYSA-N 2 2 344.459 1.846 20 30 EDEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000190608442 443148355 /nfs/dbraw/zinc/14/83/55/443148355.db2.gz MMZILAOPSRFSJQ-JCGIZDLHSA-N 2 2 326.444 1.731 20 30 EDEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000190608442 443148359 /nfs/dbraw/zinc/14/83/59/443148359.db2.gz MMZILAOPSRFSJQ-JCGIZDLHSA-N 2 2 326.444 1.731 20 30 EDEDLP CC[NH+]=C(NCCc1nc(C)no1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977784 443177719 /nfs/dbraw/zinc/17/77/19/443177719.db2.gz OBOWFXLMROGFDW-DZGCQCFKSA-N 2 2 345.451 1.666 20 30 EDEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1OC ZINC000264763362 443412945 /nfs/dbraw/zinc/41/29/45/443412945.db2.gz PFQFICRBNNRJLC-QGZVFWFLSA-N 2 2 333.476 1.986 20 30 EDEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1OC ZINC000264763362 443412950 /nfs/dbraw/zinc/41/29/50/443412950.db2.gz PFQFICRBNNRJLC-QGZVFWFLSA-N 2 2 333.476 1.986 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+](C)C2CC2)CC1=O ZINC000269831633 443453462 /nfs/dbraw/zinc/45/34/62/443453462.db2.gz LNUIBZGIBDEGCU-UHFFFAOYSA-N 2 2 339.443 1.740 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+](C)C2CC2)CC1=O ZINC000269831633 443453466 /nfs/dbraw/zinc/45/34/66/443453466.db2.gz LNUIBZGIBDEGCU-UHFFFAOYSA-N 2 2 339.443 1.740 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCS(=O)(=O)CC2)cc1 ZINC000273599213 443582742 /nfs/dbraw/zinc/58/27/42/443582742.db2.gz JAHFEKQUOIUAEB-UHFFFAOYSA-N 2 2 339.461 1.210 20 30 EDEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000289771571 444201294 /nfs/dbraw/zinc/20/12/94/444201294.db2.gz RGNMEYRIPNOWDI-UHFFFAOYSA-N 2 2 334.464 1.456 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000329955446 444785147 /nfs/dbraw/zinc/78/51/47/444785147.db2.gz KQSUIHMEAQYLFT-KFWWJZLASA-N 2 2 334.468 1.105 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000329955446 444785148 /nfs/dbraw/zinc/78/51/48/444785148.db2.gz KQSUIHMEAQYLFT-KFWWJZLASA-N 2 2 334.468 1.105 20 30 EDEDLP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329960684 444787488 /nfs/dbraw/zinc/78/74/88/444787488.db2.gz OASPUAADLRYNCJ-HNNXBMFYSA-N 2 2 333.480 1.818 20 30 EDEDLP CCN1CCN(CC(=O)NC2CC[NH+](CC)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960728 444787765 /nfs/dbraw/zinc/78/77/65/444787765.db2.gz RUADXHLTMRZJLT-INIZCTEOSA-N 2 2 348.495 1.529 20 30 EDEDLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330511851 445012196 /nfs/dbraw/zinc/01/21/96/445012196.db2.gz BQDVQKRKNDFKNJ-LLVKDONJSA-N 2 2 333.358 1.933 20 30 EDEDLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330511851 445012199 /nfs/dbraw/zinc/01/21/99/445012199.db2.gz BQDVQKRKNDFKNJ-LLVKDONJSA-N 2 2 333.358 1.933 20 30 EDEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263782 445331742 /nfs/dbraw/zinc/33/17/42/445331742.db2.gz ACPSPSUKRKMFRV-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263782 445331745 /nfs/dbraw/zinc/33/17/45/445331745.db2.gz ACPSPSUKRKMFRV-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263782 445331749 /nfs/dbraw/zinc/33/17/49/445331749.db2.gz ACPSPSUKRKMFRV-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000348263782 445331751 /nfs/dbraw/zinc/33/17/51/445331751.db2.gz ACPSPSUKRKMFRV-LJQANCHMSA-N 2 2 340.471 1.838 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000369264072 446029239 /nfs/dbraw/zinc/02/92/39/446029239.db2.gz AKCYSDZNBDQPQH-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000369264072 446029244 /nfs/dbraw/zinc/02/92/44/446029244.db2.gz AKCYSDZNBDQPQH-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 EDEDLP C#CCC(CC#C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376933739 446806004 /nfs/dbraw/zinc/80/60/04/446806004.db2.gz UKHIAWKSBZCJDC-DFNIBXOVSA-N 2 2 327.472 1.419 20 30 EDEDLP C#CCC(CC#C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376933739 446806012 /nfs/dbraw/zinc/80/60/12/446806012.db2.gz UKHIAWKSBZCJDC-DFNIBXOVSA-N 2 2 327.472 1.419 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000371514674 446908047 /nfs/dbraw/zinc/90/80/47/446908047.db2.gz OXSQRSSAQSXSRV-APWZRJJASA-N 2 2 328.460 1.615 20 30 EDEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428380451 447693732 /nfs/dbraw/zinc/69/37/32/447693732.db2.gz YZSNZYGZMGLSKI-UHFFFAOYSA-N 2 2 332.423 1.587 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000490850604 447899068 /nfs/dbraw/zinc/89/90/68/447899068.db2.gz BTBASKQDDFDYMV-QRQLOZEOSA-N 2 2 347.503 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000490850604 447899071 /nfs/dbraw/zinc/89/90/71/447899071.db2.gz BTBASKQDDFDYMV-QRQLOZEOSA-N 2 2 347.503 1.289 20 30 EDEDLP C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497206007 447958240 /nfs/dbraw/zinc/95/82/40/447958240.db2.gz AFITWENAIHREEC-LJQANCHMSA-N 2 2 340.427 1.864 20 30 EDEDLP C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497206007 447958248 /nfs/dbraw/zinc/95/82/48/447958248.db2.gz AFITWENAIHREEC-LJQANCHMSA-N 2 2 340.427 1.864 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC000491126343 447932326 /nfs/dbraw/zinc/93/23/26/447932326.db2.gz NDTQSLJSQVQSOP-SFHVURJKSA-N 2 2 346.862 1.553 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000491143914 447935704 /nfs/dbraw/zinc/93/57/04/447935704.db2.gz GYUKINQYZIXXLG-KRWDZBQOSA-N 2 2 349.862 1.131 20 30 EDEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000491647005 448070328 /nfs/dbraw/zinc/07/03/28/448070328.db2.gz VUDNEZICBWEWEJ-UHFFFAOYSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000491647005 448070334 /nfs/dbraw/zinc/07/03/34/448070334.db2.gz VUDNEZICBWEWEJ-UHFFFAOYSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000491659430 448076067 /nfs/dbraw/zinc/07/60/67/448076067.db2.gz MQUGWHDUVJLFIO-INIZCTEOSA-N 2 2 325.456 1.992 20 30 EDEDLP CN(C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000534581305 448455510 /nfs/dbraw/zinc/45/55/10/448455510.db2.gz DWDOXFHQJUBPRT-HNNXBMFYSA-N 2 2 329.448 1.894 20 30 EDEDLP CN(C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000534581305 448455513 /nfs/dbraw/zinc/45/55/13/448455513.db2.gz DWDOXFHQJUBPRT-HNNXBMFYSA-N 2 2 329.448 1.894 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000567377900 448680850 /nfs/dbraw/zinc/68/08/50/448680850.db2.gz IDFRIFQBTZDVKQ-QGZVFWFLSA-N 2 2 342.443 1.931 20 30 EDEDLP COCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693088 449150200 /nfs/dbraw/zinc/15/02/00/449150200.db2.gz OOGYPVQINZFGKB-HXUWFJFHSA-N 2 2 342.487 1.833 20 30 EDEDLP COCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693088 449150202 /nfs/dbraw/zinc/15/02/02/449150202.db2.gz OOGYPVQINZFGKB-HXUWFJFHSA-N 2 2 342.487 1.833 20 30 EDEDLP COCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693087 449150580 /nfs/dbraw/zinc/15/05/80/449150580.db2.gz OOGYPVQINZFGKB-FQEVSTJZSA-N 2 2 342.487 1.833 20 30 EDEDLP COCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693087 449150583 /nfs/dbraw/zinc/15/05/83/449150583.db2.gz OOGYPVQINZFGKB-FQEVSTJZSA-N 2 2 342.487 1.833 20 30 EDEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000590602392 449215258 /nfs/dbraw/zinc/21/52/58/449215258.db2.gz LXPLLXYKWYZKNR-SFHVURJKSA-N 2 2 330.476 1.771 20 30 EDEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000590602392 449215262 /nfs/dbraw/zinc/21/52/62/449215262.db2.gz LXPLLXYKWYZKNR-SFHVURJKSA-N 2 2 330.476 1.771 20 30 EDEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000590602392 449215267 /nfs/dbraw/zinc/21/52/67/449215267.db2.gz LXPLLXYKWYZKNR-SFHVURJKSA-N 2 2 330.476 1.771 20 30 EDEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000590602392 449215272 /nfs/dbraw/zinc/21/52/72/449215272.db2.gz LXPLLXYKWYZKNR-SFHVURJKSA-N 2 2 330.476 1.771 20 30 EDEDLP CO[C@@]1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1 ZINC000602704743 449760387 /nfs/dbraw/zinc/76/03/87/449760387.db2.gz HSMJEQQZDKDUKI-LJQANCHMSA-N 2 2 329.444 1.918 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000595273618 449993198 /nfs/dbraw/zinc/99/31/98/449993198.db2.gz NDQFAJKPDUJZGN-UHFFFAOYSA-N 2 2 339.443 1.137 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]1 ZINC000638727555 451668094 /nfs/dbraw/zinc/66/80/94/451668094.db2.gz FLCHEGPOSJUBCO-PKOBYXMFSA-N 2 2 344.459 1.097 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]1 ZINC000638727555 451668098 /nfs/dbraw/zinc/66/80/98/451668098.db2.gz FLCHEGPOSJUBCO-PKOBYXMFSA-N 2 2 344.459 1.097 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000726185663 578335848 /nfs/dbraw/zinc/33/58/48/578335848.db2.gz YEKGNHZJNAZVJA-QWHCGFSZSA-N 2 2 327.392 1.015 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000726185663 578335850 /nfs/dbraw/zinc/33/58/50/578335850.db2.gz YEKGNHZJNAZVJA-QWHCGFSZSA-N 2 2 327.392 1.015 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3cccc(F)c3)CC2)CC1 ZINC000752327092 579845875 /nfs/dbraw/zinc/84/58/75/579845875.db2.gz INJUNMRHQFLOIZ-UHFFFAOYSA-N 2 2 343.446 1.783 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754288871 579900467 /nfs/dbraw/zinc/90/04/67/579900467.db2.gz OWFPWYWYXWVLMV-AWEZNQCLSA-N 2 2 334.489 1.110 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754288871 579900468 /nfs/dbraw/zinc/90/04/68/579900468.db2.gz OWFPWYWYXWVLMV-AWEZNQCLSA-N 2 2 334.489 1.110 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccncc3Cl)cn2)CC1 ZINC000755766261 579934409 /nfs/dbraw/zinc/93/44/09/579934409.db2.gz LZVWLNIPVCAQSS-UHFFFAOYSA-N 2 2 331.811 1.145 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000775789285 580400472 /nfs/dbraw/zinc/40/04/72/580400472.db2.gz CHFSZVAJOGSPTL-IAGOWNOFSA-N 2 2 347.484 1.163 20 30 EDEDLP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799110077 581016951 /nfs/dbraw/zinc/01/69/51/581016951.db2.gz QKWKJHGVPSLYBI-UHFFFAOYSA-N 2 2 338.437 1.317 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799492952 581029714 /nfs/dbraw/zinc/02/97/14/581029714.db2.gz ZVKUFVFUTXZMDS-KRWDZBQOSA-N 2 2 330.476 1.806 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799492952 581029715 /nfs/dbraw/zinc/02/97/15/581029715.db2.gz ZVKUFVFUTXZMDS-KRWDZBQOSA-N 2 2 330.476 1.806 20 30 EDEDLP C[C@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000811647861 593475598 /nfs/dbraw/zinc/47/55/98/593475598.db2.gz DUUFYOLLYRXPNP-KRWDZBQOSA-N 2 2 330.476 1.949 20 30 EDEDLP C[C@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000811647861 593475599 /nfs/dbraw/zinc/47/55/99/593475599.db2.gz DUUFYOLLYRXPNP-KRWDZBQOSA-N 2 2 330.476 1.949 20 30 EDEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858225000 595735871 /nfs/dbraw/zinc/73/58/71/595735871.db2.gz ZYTOXPIFLQGXQE-INIZCTEOSA-N 2 2 349.862 1.781 20 30 EDEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858225000 595735874 /nfs/dbraw/zinc/73/58/74/595735874.db2.gz ZYTOXPIFLQGXQE-INIZCTEOSA-N 2 2 349.862 1.781 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000870907639 596398604 /nfs/dbraw/zinc/39/86/04/596398604.db2.gz MNUCVXZWYHAPPK-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870907639 596398607 /nfs/dbraw/zinc/39/86/07/596398607.db2.gz MNUCVXZWYHAPPK-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000870907639 596398612 /nfs/dbraw/zinc/39/86/12/596398612.db2.gz MNUCVXZWYHAPPK-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000870907639 596398617 /nfs/dbraw/zinc/39/86/17/596398617.db2.gz MNUCVXZWYHAPPK-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP CCC(=[NH+]NC(=S)NCCC[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000863068362 596499577 /nfs/dbraw/zinc/49/95/77/596499577.db2.gz BBVMMLSPBVOLEH-UHFFFAOYSA-N 2 2 349.504 1.569 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876730430 597310922 /nfs/dbraw/zinc/31/09/22/597310922.db2.gz GITYVABEYWPBIV-NVXWUHKLSA-N 2 2 335.411 1.874 20 30 EDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939856733 699995792 /nfs/dbraw/zinc/99/57/92/699995792.db2.gz PCWFTEDFCWBLGA-IUODEOHRSA-N 2 2 329.429 1.453 20 30 EDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000992849418 695407240 /nfs/dbraw/zinc/40/72/40/695407240.db2.gz DNUMKKHJUWZCPY-FVQBIDKESA-N 2 2 336.867 1.932 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC001031434748 697101273 /nfs/dbraw/zinc/10/12/73/697101273.db2.gz CVAOVOSOICDSCP-UHFFFAOYSA-N 2 2 339.483 1.949 20 30 EDEDLP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756880 698833174 /nfs/dbraw/zinc/83/31/74/698833174.db2.gz XEPHBSATRGALFN-YOEHRIQHSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756880 698833178 /nfs/dbraw/zinc/83/31/78/698833178.db2.gz XEPHBSATRGALFN-YOEHRIQHSA-N 2 2 337.427 1.851 20 30 EDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509750 701558856 /nfs/dbraw/zinc/55/88/56/701558856.db2.gz VJTDXEODBKEZDX-UHFFFAOYSA-N 2 2 331.464 1.068 20 30 EDEDLP C#CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940763600 700885065 /nfs/dbraw/zinc/88/50/65/700885065.db2.gz HHZABYSDWNAPNB-DLBZAZTESA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940763600 700885066 /nfs/dbraw/zinc/88/50/66/700885066.db2.gz HHZABYSDWNAPNB-DLBZAZTESA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940763600 700885067 /nfs/dbraw/zinc/88/50/67/700885067.db2.gz HHZABYSDWNAPNB-DLBZAZTESA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940763600 700885068 /nfs/dbraw/zinc/88/50/68/700885068.db2.gz HHZABYSDWNAPNB-DLBZAZTESA-N 2 2 343.475 1.640 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850112 700944013 /nfs/dbraw/zinc/94/40/13/700944013.db2.gz BILWJNULDQJEKD-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850112 700944015 /nfs/dbraw/zinc/94/40/15/700944015.db2.gz BILWJNULDQJEKD-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001032205397 702056432 /nfs/dbraw/zinc/05/64/32/702056432.db2.gz XWCJEHXWQIVAFZ-UHFFFAOYSA-N 2 2 344.434 1.114 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063325 702519659 /nfs/dbraw/zinc/51/96/59/702519659.db2.gz GNLMVPFLJNISGK-NVXWUHKLSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063325 702519663 /nfs/dbraw/zinc/51/96/63/702519663.db2.gz GNLMVPFLJNISGK-NVXWUHKLSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3coc(C)n3)CC2)CC1 ZINC001004201889 703932024 /nfs/dbraw/zinc/93/20/24/703932024.db2.gz SDLAMJOGWGWSRM-UHFFFAOYSA-N 2 2 344.459 1.409 20 30 EDEDLP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997763412 704668553 /nfs/dbraw/zinc/66/85/53/704668553.db2.gz WQHWMMYFMUNHKR-USXIJHARSA-N 2 2 328.460 1.764 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815835 707566211 /nfs/dbraw/zinc/56/62/11/707566211.db2.gz QXXIYSIYUWKEET-YESZJQIVSA-N 2 2 328.460 1.782 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815835 707566213 /nfs/dbraw/zinc/56/62/13/707566213.db2.gz QXXIYSIYUWKEET-YESZJQIVSA-N 2 2 328.460 1.782 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815835 707566214 /nfs/dbraw/zinc/56/62/14/707566214.db2.gz QXXIYSIYUWKEET-YESZJQIVSA-N 2 2 328.460 1.782 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815835 707566216 /nfs/dbraw/zinc/56/62/16/707566216.db2.gz QXXIYSIYUWKEET-YESZJQIVSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001005519791 709508273 /nfs/dbraw/zinc/50/82/73/709508273.db2.gz YVFUJKOVEXAHHX-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001005519791 709508275 /nfs/dbraw/zinc/50/82/75/709508275.db2.gz YVFUJKOVEXAHHX-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329315323 539428203 /nfs/dbraw/zinc/42/82/03/539428203.db2.gz RYNRESKDERMYBA-JTQLQIEISA-N 2 2 331.342 1.686 20 30 EDEDLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329315323 539428209 /nfs/dbraw/zinc/42/82/09/539428209.db2.gz RYNRESKDERMYBA-JTQLQIEISA-N 2 2 331.342 1.686 20 30 EDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCOCC1 ZINC000263287133 283260860 /nfs/dbraw/zinc/26/08/60/283260860.db2.gz VBEHRCLCIZGCII-MRXNPFEDSA-N 2 2 334.489 1.251 20 30 EDEDLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000263287133 283260864 /nfs/dbraw/zinc/26/08/64/283260864.db2.gz VBEHRCLCIZGCII-MRXNPFEDSA-N 2 2 334.489 1.251 20 30 EDEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CCCCC1 ZINC000104178575 237059299 /nfs/dbraw/zinc/05/92/99/237059299.db2.gz AFCBMNRGQRIFAO-INIZCTEOSA-N 2 2 326.510 1.431 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000175131318 237301527 /nfs/dbraw/zinc/30/15/27/237301527.db2.gz LXEXFVGSJSPVQS-UHFFFAOYSA-N 2 2 329.448 1.900 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373079494 250231324 /nfs/dbraw/zinc/23/13/24/250231324.db2.gz WTLJYPZTJZEGQQ-INIZCTEOSA-N 2 2 336.480 1.586 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373079494 250231331 /nfs/dbraw/zinc/23/13/31/250231331.db2.gz WTLJYPZTJZEGQQ-INIZCTEOSA-N 2 2 336.480 1.586 20 30 EDEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424139685 252139429 /nfs/dbraw/zinc/13/94/29/252139429.db2.gz FBYRXJKHCWKTMA-INIZCTEOSA-N 2 2 330.432 1.787 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000491642853 255136717 /nfs/dbraw/zinc/13/67/17/255136717.db2.gz CHCFHDMPKHPHRI-KRWDZBQOSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000491642853 255136719 /nfs/dbraw/zinc/13/67/19/255136719.db2.gz CHCFHDMPKHPHRI-KRWDZBQOSA-N 2 2 329.419 1.392 20 30 EDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654905 151104132 /nfs/dbraw/zinc/10/41/32/151104132.db2.gz XVPTXQJWZUNEBL-AWEZNQCLSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654905 151104134 /nfs/dbraw/zinc/10/41/34/151104134.db2.gz XVPTXQJWZUNEBL-AWEZNQCLSA-N 2 2 330.432 1.274 20 30 EDEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373899694 157055244 /nfs/dbraw/zinc/05/52/44/157055244.db2.gz LINIMHWHKVOBJJ-OAHLLOKOSA-N 2 2 330.432 1.700 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408321498 158330640 /nfs/dbraw/zinc/33/06/40/158330640.db2.gz QXRJBIWYZSBXQA-CQSZACIVSA-N 2 2 327.432 1.194 20 30 EDEDLP C=C(C)C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000378491567 447434879 /nfs/dbraw/zinc/43/48/79/447434879.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000378491567 447434862 /nfs/dbraw/zinc/43/48/62/447434862.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000378491567 447434867 /nfs/dbraw/zinc/43/48/67/447434867.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(C)C[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000378491567 447434873 /nfs/dbraw/zinc/43/48/73/447434873.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052588657 441463321 /nfs/dbraw/zinc/46/33/21/441463321.db2.gz UYZMBVYEVFITOO-SFHVURJKSA-N 2 2 341.459 1.480 20 30 EDEDLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052588657 441463323 /nfs/dbraw/zinc/46/33/23/441463323.db2.gz UYZMBVYEVFITOO-SFHVURJKSA-N 2 2 341.459 1.480 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3OC)C2)CC1 ZINC000120899318 442149116 /nfs/dbraw/zinc/14/91/16/442149116.db2.gz LVDVRTXAWCLYOG-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)CC1 ZINC000120899318 442149122 /nfs/dbraw/zinc/14/91/22/442149122.db2.gz LVDVRTXAWCLYOG-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082319 443237317 /nfs/dbraw/zinc/23/73/17/443237317.db2.gz DMYMABDWQIBRBL-HKUYNNGSSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[N@H+](CCOC)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082319 443237319 /nfs/dbraw/zinc/23/73/19/443237319.db2.gz DMYMABDWQIBRBL-HKUYNNGSSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191082319 443237323 /nfs/dbraw/zinc/23/73/23/443237323.db2.gz DMYMABDWQIBRBL-HKUYNNGSSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191082319 443237327 /nfs/dbraw/zinc/23/73/27/443237327.db2.gz DMYMABDWQIBRBL-HKUYNNGSSA-N 2 2 345.487 1.900 20 30 EDEDLP C[N@H+](C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000290128008 444245667 /nfs/dbraw/zinc/24/56/67/444245667.db2.gz ZHKAABLDMPMLHF-KRWDZBQOSA-N 2 2 329.444 1.857 20 30 EDEDLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000290128008 444245668 /nfs/dbraw/zinc/24/56/68/444245668.db2.gz ZHKAABLDMPMLHF-KRWDZBQOSA-N 2 2 329.444 1.857 20 30 EDEDLP Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329203046 444500618 /nfs/dbraw/zinc/50/06/18/444500618.db2.gz YGYGEASOHRMORT-IAGOWNOFSA-N 2 2 346.479 1.079 20 30 EDEDLP Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329203046 444500620 /nfs/dbraw/zinc/50/06/20/444500620.db2.gz YGYGEASOHRMORT-IAGOWNOFSA-N 2 2 346.479 1.079 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329982177 444798106 /nfs/dbraw/zinc/79/81/06/444798106.db2.gz OQEFFEBSUGNIHG-BPUTZDHNSA-N 2 2 349.454 1.916 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329982177 444798109 /nfs/dbraw/zinc/79/81/09/444798109.db2.gz OQEFFEBSUGNIHG-BPUTZDHNSA-N 2 2 349.454 1.916 20 30 EDEDLP CCN1CCN(C(=O)NCC[NH+]2CCC(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329964684 444789839 /nfs/dbraw/zinc/78/98/39/444789839.db2.gz QSRLPAPSJGLVGH-MRXNPFEDSA-N 2 2 348.495 1.734 20 30 EDEDLP C=CCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168679 445069651 /nfs/dbraw/zinc/06/96/51/445069651.db2.gz JMGCVHGTKDPVLO-ROUUACIJSA-N 2 2 337.508 1.985 20 30 EDEDLP C=CCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168679 445069657 /nfs/dbraw/zinc/06/96/57/445069657.db2.gz JMGCVHGTKDPVLO-ROUUACIJSA-N 2 2 337.508 1.985 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353450220 445607265 /nfs/dbraw/zinc/60/72/65/445607265.db2.gz PCNKLPZACSUQQN-QFBILLFUSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353450220 445607270 /nfs/dbraw/zinc/60/72/70/445607270.db2.gz PCNKLPZACSUQQN-QFBILLFUSA-N 2 2 337.508 1.842 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364702954 445947217 /nfs/dbraw/zinc/94/72/17/445947217.db2.gz BDZOVTBRAGAKES-SOLBZPMBSA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364702954 445947222 /nfs/dbraw/zinc/94/72/22/445947222.db2.gz BDZOVTBRAGAKES-SOLBZPMBSA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364702954 445947227 /nfs/dbraw/zinc/94/72/27/445947227.db2.gz BDZOVTBRAGAKES-SOLBZPMBSA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364702954 445947231 /nfs/dbraw/zinc/94/72/31/445947231.db2.gz BDZOVTBRAGAKES-SOLBZPMBSA-N 2 2 345.491 1.263 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CCC#N)C2)CC1 ZINC000376707870 446665395 /nfs/dbraw/zinc/66/53/95/446665395.db2.gz XCKHKDAZROHEQU-HNNXBMFYSA-N 2 2 335.496 1.784 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)CCC#N)C2)CC1 ZINC000376707870 446665400 /nfs/dbraw/zinc/66/54/00/446665400.db2.gz XCKHKDAZROHEQU-HNNXBMFYSA-N 2 2 335.496 1.784 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2ccc(C#N)cn12 ZINC000371470362 446874671 /nfs/dbraw/zinc/87/46/71/446874671.db2.gz KZIOPGHDIMVOTC-NXHRZFHOSA-N 2 2 339.443 1.889 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2ccc(C#N)cn12 ZINC000371470362 446874682 /nfs/dbraw/zinc/87/46/82/446874682.db2.gz KZIOPGHDIMVOTC-NXHRZFHOSA-N 2 2 339.443 1.889 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000371467666 446875734 /nfs/dbraw/zinc/87/57/34/446875734.db2.gz FRLIEQMJOHGFCM-KRWDZBQOSA-N 2 2 326.444 1.466 20 30 EDEDLP CN(C(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372660673 447211736 /nfs/dbraw/zinc/21/17/36/447211736.db2.gz QVJZIMOIFLKGTL-QGZVFWFLSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372660673 447211738 /nfs/dbraw/zinc/21/17/38/447211738.db2.gz QVJZIMOIFLKGTL-QGZVFWFLSA-N 2 2 327.432 1.194 20 30 EDEDLP C#CC[N@@H+](CC)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000490851369 447900100 /nfs/dbraw/zinc/90/01/00/447900100.db2.gz GZFOCJGASXARKB-QGZVFWFLSA-N 2 2 343.471 1.479 20 30 EDEDLP C#CC[N@H+](CC)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000490851369 447900105 /nfs/dbraw/zinc/90/01/05/447900105.db2.gz GZFOCJGASXARKB-QGZVFWFLSA-N 2 2 343.471 1.479 20 30 EDEDLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000552882833 447962513 /nfs/dbraw/zinc/96/25/13/447962513.db2.gz BUKGDCQQMBGBMO-QGZVFWFLSA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000552882833 447962516 /nfs/dbraw/zinc/96/25/16/447962516.db2.gz BUKGDCQQMBGBMO-QGZVFWFLSA-N 2 2 340.471 1.933 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccnc(C#N)c3)CC2)CC1 ZINC000591478030 448376547 /nfs/dbraw/zinc/37/65/47/448376547.db2.gz HIYJCYRLVIAQHI-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccnc(C#N)c3)CC2)CC1 ZINC000591478030 448376552 /nfs/dbraw/zinc/37/65/52/448376552.db2.gz HIYJCYRLVIAQHI-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC000591478030 448376556 /nfs/dbraw/zinc/37/65/56/448376556.db2.gz HIYJCYRLVIAQHI-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC000591478030 448376561 /nfs/dbraw/zinc/37/65/61/448376561.db2.gz HIYJCYRLVIAQHI-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000583368635 448433254 /nfs/dbraw/zinc/43/32/54/448433254.db2.gz BPAGGBKNGMCZPK-RTBURBONSA-N 2 2 330.476 1.619 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000583368635 448433259 /nfs/dbraw/zinc/43/32/59/448433259.db2.gz BPAGGBKNGMCZPK-RTBURBONSA-N 2 2 330.476 1.619 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517038165 448530628 /nfs/dbraw/zinc/53/06/28/448530628.db2.gz LQMILZDBOKYDPN-KRWDZBQOSA-N 2 2 347.459 1.341 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517038165 448530631 /nfs/dbraw/zinc/53/06/31/448530631.db2.gz LQMILZDBOKYDPN-KRWDZBQOSA-N 2 2 347.459 1.341 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC)C2)c(OC)c1 ZINC000517556390 448591976 /nfs/dbraw/zinc/59/19/76/448591976.db2.gz LXLYSQAIJPGRCJ-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC)C2)c(OC)c1 ZINC000517556390 448591981 /nfs/dbraw/zinc/59/19/81/448591981.db2.gz LXLYSQAIJPGRCJ-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP Cc1c[nH+]ccc1CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000567464180 448699683 /nfs/dbraw/zinc/69/96/83/448699683.db2.gz JCPCRQCERUUJBL-UHFFFAOYSA-N 2 2 329.425 1.868 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181135 448724993 /nfs/dbraw/zinc/72/49/93/448724993.db2.gz DCVXNKYRFKXOKQ-RDJZCZTQSA-N 2 2 336.480 1.226 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181135 448724996 /nfs/dbraw/zinc/72/49/96/448724996.db2.gz DCVXNKYRFKXOKQ-RDJZCZTQSA-N 2 2 336.480 1.226 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000518966243 448725606 /nfs/dbraw/zinc/72/56/06/448725606.db2.gz HTIKGBBGFLCYAS-IBGZPJMESA-N 2 2 346.475 1.262 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000518966243 448725610 /nfs/dbraw/zinc/72/56/10/448725610.db2.gz HTIKGBBGFLCYAS-IBGZPJMESA-N 2 2 346.475 1.262 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000519630722 448805648 /nfs/dbraw/zinc/80/56/48/448805648.db2.gz IWXCVMQGOBQMJE-MRXNPFEDSA-N 2 2 340.537 1.144 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336922 449023788 /nfs/dbraw/zinc/02/37/88/449023788.db2.gz QWQXXPHSBBCRIK-LSDHHAIUSA-N 2 2 329.448 1.769 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336922 449023791 /nfs/dbraw/zinc/02/37/91/449023791.db2.gz QWQXXPHSBBCRIK-LSDHHAIUSA-N 2 2 329.448 1.769 20 30 EDEDLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324027 449226742 /nfs/dbraw/zinc/22/67/42/449226742.db2.gz VUOAZLWAQGPVHV-YSSFQJQWSA-N 3 2 342.487 1.865 20 30 EDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000598679857 449537990 /nfs/dbraw/zinc/53/79/90/449537990.db2.gz OEVOKQBMXKZWDC-ROUUACIJSA-N 2 2 339.443 1.278 20 30 EDEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000598679857 449537993 /nfs/dbraw/zinc/53/79/93/449537993.db2.gz OEVOKQBMXKZWDC-ROUUACIJSA-N 2 2 339.443 1.278 20 30 EDEDLP N#CC1CCC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000602510654 449640679 /nfs/dbraw/zinc/64/06/79/449640679.db2.gz LKOWLWYURNSWHX-UHFFFAOYSA-N 2 2 328.464 1.661 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3CC#N)C2)CC1 ZINC000601157628 449722239 /nfs/dbraw/zinc/72/22/39/449722239.db2.gz BTSLBTMBWSUSJG-INIZCTEOSA-N 2 2 326.444 1.651 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3CC#N)C2)CC1 ZINC000601157628 449722245 /nfs/dbraw/zinc/72/22/45/449722245.db2.gz BTSLBTMBWSUSJG-INIZCTEOSA-N 2 2 326.444 1.651 20 30 EDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264077951 535596573 /nfs/dbraw/zinc/59/65/73/535596573.db2.gz GHUQJZRSZCAMIP-DLBZAZTESA-N 3 2 335.471 1.817 20 30 EDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000264077951 535596576 /nfs/dbraw/zinc/59/65/76/535596576.db2.gz GHUQJZRSZCAMIP-DLBZAZTESA-N 3 2 335.471 1.817 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000726185661 578335863 /nfs/dbraw/zinc/33/58/63/578335863.db2.gz YEKGNHZJNAZVJA-OLZOCXBDSA-N 2 2 327.392 1.015 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000726185661 578335865 /nfs/dbraw/zinc/33/58/65/578335865.db2.gz YEKGNHZJNAZVJA-OLZOCXBDSA-N 2 2 327.392 1.015 20 30 EDEDLP CN(c1ccccc1C=[NH+]N1CCCNC1=O)C1CC[NH+](C)CC1 ZINC000777898805 580452614 /nfs/dbraw/zinc/45/26/14/580452614.db2.gz XFNOOQOYDINYJR-UHFFFAOYSA-N 2 2 329.448 1.966 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000751500217 579810507 /nfs/dbraw/zinc/81/05/07/579810507.db2.gz VFUQRGBGWDYIMF-IEBWSBKVSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000751500217 579810508 /nfs/dbraw/zinc/81/05/08/579810508.db2.gz VFUQRGBGWDYIMF-IEBWSBKVSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(c3ccccc3)CC2)CC1 ZINC000753203633 579874751 /nfs/dbraw/zinc/87/47/51/579874751.db2.gz MUHMYDWRQZFRSQ-UHFFFAOYSA-N 2 2 339.483 1.818 20 30 EDEDLP CN(Cc1cc(C#N)cs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893867922 591120962 /nfs/dbraw/zinc/12/09/62/591120962.db2.gz UVRAPMVHYFAEGS-UHFFFAOYSA-N 2 2 349.504 1.787 20 30 EDEDLP C=CC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819346100 593751426 /nfs/dbraw/zinc/75/14/26/593751426.db2.gz SQERNDSTISQKCY-GOSISDBHSA-N 2 2 347.503 1.980 20 30 EDEDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cn2c1 ZINC000844195255 595299557 /nfs/dbraw/zinc/29/95/57/595299557.db2.gz TWXWOADBFHHTCM-GXTWGEPZSA-N 2 2 329.429 1.104 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844334169 595327418 /nfs/dbraw/zinc/32/74/18/595327418.db2.gz FYUIKWVGLBOCEE-SFHVURJKSA-N 2 2 329.444 1.418 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000871188236 596493941 /nfs/dbraw/zinc/49/39/41/596493941.db2.gz MQAWJKRYSCCSOS-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188236 596493943 /nfs/dbraw/zinc/49/39/43/596493943.db2.gz MQAWJKRYSCCSOS-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000871188236 596493946 /nfs/dbraw/zinc/49/39/46/596493946.db2.gz MQAWJKRYSCCSOS-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000871188236 596493949 /nfs/dbraw/zinc/49/39/49/596493949.db2.gz MQAWJKRYSCCSOS-MOPGFXCFSA-N 2 2 325.456 1.783 20 30 EDEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000865659179 596641422 /nfs/dbraw/zinc/64/14/22/596641422.db2.gz FVXBMMCKRFPKOZ-SFHVURJKSA-N 2 2 342.487 1.962 20 30 EDEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000865659179 596641424 /nfs/dbraw/zinc/64/14/24/596641424.db2.gz FVXBMMCKRFPKOZ-SFHVURJKSA-N 2 2 342.487 1.962 20 30 EDEDLP C[C@@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729423 596679448 /nfs/dbraw/zinc/67/94/48/596679448.db2.gz NWYZNGVVZNXINI-YOEHRIQHSA-N 2 2 333.432 1.581 20 30 EDEDLP N#Cc1ccccc1N1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000873238685 597235841 /nfs/dbraw/zinc/23/58/41/597235841.db2.gz FBFGWCNQACEFCV-UXHICEINSA-N 2 2 340.471 1.884 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880494519 597947744 /nfs/dbraw/zinc/94/77/44/597947744.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 2 2 325.412 1.024 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880494519 597947745 /nfs/dbraw/zinc/94/77/45/597947745.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 2 2 325.412 1.024 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880494519 597947746 /nfs/dbraw/zinc/94/77/46/597947746.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 2 2 325.412 1.024 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880494519 597947747 /nfs/dbraw/zinc/94/77/47/597947747.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 2 2 325.412 1.024 20 30 EDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941588042 701591240 /nfs/dbraw/zinc/59/12/40/701591240.db2.gz ZXXQJJBWHUNTIZ-QGZVFWFLSA-N 2 2 345.491 1.629 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850854 700952013 /nfs/dbraw/zinc/95/20/13/700952013.db2.gz ORZSRKMCFOGTDQ-RHSMWYFYSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850854 700952015 /nfs/dbraw/zinc/95/20/15/700952015.db2.gz ORZSRKMCFOGTDQ-RHSMWYFYSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850854 700952017 /nfs/dbraw/zinc/95/20/17/700952017.db2.gz ORZSRKMCFOGTDQ-RHSMWYFYSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850854 700952018 /nfs/dbraw/zinc/95/20/18/700952018.db2.gz ORZSRKMCFOGTDQ-RHSMWYFYSA-N 2 2 328.460 1.673 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997179156 703463183 /nfs/dbraw/zinc/46/31/83/703463183.db2.gz YAIDCTOYOMEIKL-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997529531 703782292 /nfs/dbraw/zinc/78/22/92/703782292.db2.gz CVWWQHGZGDTIMD-ZFWWWQNUSA-N 2 2 329.872 1.286 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997529531 703782294 /nfs/dbraw/zinc/78/22/94/703782294.db2.gz CVWWQHGZGDTIMD-ZFWWWQNUSA-N 2 2 329.872 1.286 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000945181504 705215104 /nfs/dbraw/zinc/21/51/04/705215104.db2.gz NPFJMRASCBHTDG-YJBOKZPZSA-N 2 2 344.459 1.346 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000945181504 705215107 /nfs/dbraw/zinc/21/51/07/705215107.db2.gz NPFJMRASCBHTDG-YJBOKZPZSA-N 2 2 344.459 1.346 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000998921971 706349951 /nfs/dbraw/zinc/34/99/51/706349951.db2.gz BXOSGKCRMBAHQA-JCYILVPMSA-N 2 2 344.459 1.468 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000998921971 706349953 /nfs/dbraw/zinc/34/99/53/706349953.db2.gz BXOSGKCRMBAHQA-JCYILVPMSA-N 2 2 344.459 1.468 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999398144 706893058 /nfs/dbraw/zinc/89/30/58/706893058.db2.gz OBVIHINYQPYSAD-CABCVRRESA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999398144 706893061 /nfs/dbraw/zinc/89/30/61/706893061.db2.gz OBVIHINYQPYSAD-CABCVRRESA-N 2 2 332.473 1.321 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999803106 707374356 /nfs/dbraw/zinc/37/43/56/707374356.db2.gz YMJKHSDQVKDOHE-QZTJIDSGSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999803106 707374362 /nfs/dbraw/zinc/37/43/62/707374362.db2.gz YMJKHSDQVKDOHE-QZTJIDSGSA-N 2 2 335.492 1.644 20 30 EDEDLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000999915967 707558329 /nfs/dbraw/zinc/55/83/29/707558329.db2.gz MNMSFIYSWRBADJ-UHFFFAOYSA-N 2 2 341.390 1.673 20 30 EDEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC001000204769 707852277 /nfs/dbraw/zinc/85/22/77/707852277.db2.gz RDFQHWAAZQCCEG-OAHLLOKOSA-N 2 2 326.444 1.440 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033688851 708518217 /nfs/dbraw/zinc/51/82/17/708518217.db2.gz UIZLORDHLJPIEP-QGZVFWFLSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC1 ZINC001033688851 708518219 /nfs/dbraw/zinc/51/82/19/708518219.db2.gz UIZLORDHLJPIEP-QGZVFWFLSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061771547 710635866 /nfs/dbraw/zinc/63/58/66/710635866.db2.gz YYBREKAGGIXYQQ-IRXDYDNUSA-N 2 2 341.459 1.134 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061771547 710635869 /nfs/dbraw/zinc/63/58/69/710635869.db2.gz YYBREKAGGIXYQQ-IRXDYDNUSA-N 2 2 341.459 1.134 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033153547 712176287 /nfs/dbraw/zinc/17/62/87/712176287.db2.gz HWWQKIYGCQCGDJ-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033153547 712176289 /nfs/dbraw/zinc/17/62/89/712176289.db2.gz HWWQKIYGCQCGDJ-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033153547 712176292 /nfs/dbraw/zinc/17/62/92/712176292.db2.gz HWWQKIYGCQCGDJ-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033153547 712176293 /nfs/dbraw/zinc/17/62/93/712176293.db2.gz HWWQKIYGCQCGDJ-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP CC1(C)C[N@H+](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000328769260 539365020 /nfs/dbraw/zinc/36/50/20/539365020.db2.gz QPAPDYHEHJGXKW-UHFFFAOYSA-N 2 2 335.452 1.614 20 30 EDEDLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000328769260 539365025 /nfs/dbraw/zinc/36/50/25/539365025.db2.gz QPAPDYHEHJGXKW-UHFFFAOYSA-N 2 2 335.452 1.614 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)NCC3CC3)CC2)cc1 ZINC000181296296 234145939 /nfs/dbraw/zinc/14/59/39/234145939.db2.gz OXXSDQBAJLTMQZ-UHFFFAOYSA-N 2 2 326.444 1.638 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374715769 250271355 /nfs/dbraw/zinc/27/13/55/250271355.db2.gz JWIQRZQHQHQWPN-BZUAXINKSA-N 2 2 330.494 1.066 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374715769 250271360 /nfs/dbraw/zinc/27/13/60/250271360.db2.gz JWIQRZQHQHQWPN-BZUAXINKSA-N 2 2 330.494 1.066 20 30 EDEDLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424138899 252140238 /nfs/dbraw/zinc/14/02/38/252140238.db2.gz QQIRLMWSTBWDPC-SFHVURJKSA-N 2 2 344.459 1.751 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000424194220 252158581 /nfs/dbraw/zinc/15/85/81/252158581.db2.gz VUINRBICNWLVGK-MRXNPFEDSA-N 2 2 334.851 1.835 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000424194220 252158585 /nfs/dbraw/zinc/15/85/85/252158585.db2.gz VUINRBICNWLVGK-MRXNPFEDSA-N 2 2 334.851 1.835 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1F ZINC000424134611 252136261 /nfs/dbraw/zinc/13/62/61/252136261.db2.gz KXJOPPIMILSHAI-CABCVRRESA-N 2 2 329.379 1.786 20 30 EDEDLP C=CCn1cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488993662 255061978 /nfs/dbraw/zinc/06/19/78/255061978.db2.gz CVEOXUUVQIHETH-UHFFFAOYSA-N 2 2 330.476 1.963 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947911 255111587 /nfs/dbraw/zinc/11/15/87/255111587.db2.gz BHVJFOZFWMAQHK-QZTJIDSGSA-N 3 2 346.519 1.006 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947911 255111588 /nfs/dbraw/zinc/11/15/88/255111588.db2.gz BHVJFOZFWMAQHK-QZTJIDSGSA-N 3 2 346.519 1.006 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)C[C@@H]2CC=CCC2)CC1 ZINC000491667256 255137706 /nfs/dbraw/zinc/13/77/06/255137706.db2.gz MRTVNKBFLLOUFI-GOSISDBHSA-N 2 2 333.476 1.069 20 30 EDEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000491728647 255145915 /nfs/dbraw/zinc/14/59/15/255145915.db2.gz BEUCBVKDHFVGIV-SFHVURJKSA-N 2 2 346.450 1.825 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000491630813 255134341 /nfs/dbraw/zinc/13/43/41/255134341.db2.gz OBOSZOIWIMCRGU-KRWDZBQOSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000491630813 255134343 /nfs/dbraw/zinc/13/43/43/255134343.db2.gz OBOSZOIWIMCRGU-KRWDZBQOSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491630813 255134345 /nfs/dbraw/zinc/13/43/45/255134345.db2.gz OBOSZOIWIMCRGU-KRWDZBQOSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491630813 255134346 /nfs/dbraw/zinc/13/43/46/255134346.db2.gz OBOSZOIWIMCRGU-KRWDZBQOSA-N 2 2 343.471 1.683 20 30 EDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000363756332 153047722 /nfs/dbraw/zinc/04/77/22/153047722.db2.gz GZNNHKAPAZJWGQ-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000363756332 153047724 /nfs/dbraw/zinc/04/77/24/153047724.db2.gz GZNNHKAPAZJWGQ-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000363756332 153047726 /nfs/dbraw/zinc/04/77/26/153047726.db2.gz GZNNHKAPAZJWGQ-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(C#N)c3)CC[C@@H]21 ZINC000363756332 153047728 /nfs/dbraw/zinc/04/77/28/153047728.db2.gz GZNNHKAPAZJWGQ-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000118397534 287130882 /nfs/dbraw/zinc/13/08/82/287130882.db2.gz CFTQBHCTBUNQLC-INIZCTEOSA-N 2 2 326.444 1.859 20 30 EDEDLP Cc1cc(C#N)nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000286177001 267314812 /nfs/dbraw/zinc/31/48/12/267314812.db2.gz KQTGTOKDQUYPFY-UHFFFAOYSA-N 2 2 328.464 1.652 20 30 EDEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CCN(C(C)=O)CC1 ZINC000263113416 277752553 /nfs/dbraw/zinc/75/25/53/277752553.db2.gz FGQLQLMXUAASQA-CQSZACIVSA-N 2 2 337.493 1.090 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000422175356 447388014 /nfs/dbraw/zinc/38/80/14/447388014.db2.gz GKKDNZIWTJGFSJ-UHFFFAOYSA-N 2 2 335.496 1.738 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000422175356 447388019 /nfs/dbraw/zinc/38/80/19/447388019.db2.gz GKKDNZIWTJGFSJ-UHFFFAOYSA-N 2 2 335.496 1.738 20 30 EDEDLP C=CCOc1cccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378348156 447420200 /nfs/dbraw/zinc/42/02/00/447420200.db2.gz FSZASNNQFNZOOD-HXUWFJFHSA-N 2 2 345.487 1.700 20 30 EDEDLP C=CCOc1cccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378348156 447420202 /nfs/dbraw/zinc/42/02/02/447420202.db2.gz FSZASNNQFNZOOD-HXUWFJFHSA-N 2 2 345.487 1.700 20 30 EDEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159717078 441831996 /nfs/dbraw/zinc/83/19/96/441831996.db2.gz IWROBOHVHWXCNM-VYDXJSESSA-N 2 2 325.416 1.857 20 30 EDEDLP C[NH+]=C(NCCn1cc(C)cn1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159961801 441850536 /nfs/dbraw/zinc/85/05/36/441850536.db2.gz MTKDKARXWBYIJX-HOTGVXAUSA-N 2 2 329.452 1.547 20 30 EDEDLP C=CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821126 441897137 /nfs/dbraw/zinc/89/71/37/441897137.db2.gz OCMTYAHVBPFHNV-GOSISDBHSA-N 2 2 343.471 1.990 20 30 EDEDLP C=CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821126 441897143 /nfs/dbraw/zinc/89/71/43/441897143.db2.gz OCMTYAHVBPFHNV-GOSISDBHSA-N 2 2 343.471 1.990 20 30 EDEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858962 442057712 /nfs/dbraw/zinc/05/77/12/442057712.db2.gz AYXZJHKNXVCWFZ-GOSISDBHSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858962 442057717 /nfs/dbraw/zinc/05/77/17/442057717.db2.gz AYXZJHKNXVCWFZ-GOSISDBHSA-N 2 2 329.444 1.981 20 30 EDEDLP C=CC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121374435 442209540 /nfs/dbraw/zinc/20/95/40/442209540.db2.gz KQHZGFYQOZGXMP-MRXNPFEDSA-N 2 2 331.460 1.641 20 30 EDEDLP C=CC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000121374435 442209544 /nfs/dbraw/zinc/20/95/44/442209544.db2.gz KQHZGFYQOZGXMP-MRXNPFEDSA-N 2 2 331.460 1.641 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291322 442734086 /nfs/dbraw/zinc/73/40/86/442734086.db2.gz OSKYEKRONBLJAH-VQIMIIECSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291322 442734089 /nfs/dbraw/zinc/73/40/89/442734089.db2.gz OSKYEKRONBLJAH-VQIMIIECSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188291322 442734090 /nfs/dbraw/zinc/73/40/90/442734090.db2.gz OSKYEKRONBLJAH-VQIMIIECSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188291322 442734094 /nfs/dbraw/zinc/73/40/94/442734094.db2.gz OSKYEKRONBLJAH-VQIMIIECSA-N 2 2 331.460 1.246 20 30 EDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602542 442758436 /nfs/dbraw/zinc/75/84/36/442758436.db2.gz WUZJQOWRIKCGNP-YESZJQIVSA-N 2 2 326.444 1.815 20 30 EDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602542 442758438 /nfs/dbraw/zinc/75/84/38/442758438.db2.gz WUZJQOWRIKCGNP-YESZJQIVSA-N 2 2 326.444 1.815 20 30 EDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602542 442758440 /nfs/dbraw/zinc/75/84/40/442758440.db2.gz WUZJQOWRIKCGNP-YESZJQIVSA-N 2 2 326.444 1.815 20 30 EDEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602542 442758442 /nfs/dbraw/zinc/75/84/42/442758442.db2.gz WUZJQOWRIKCGNP-YESZJQIVSA-N 2 2 326.444 1.815 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261655955 443162772 /nfs/dbraw/zinc/16/27/72/443162772.db2.gz ADFPKOVEIJSOPV-HOCLYGCPSA-N 3 2 329.452 1.547 20 30 EDEDLP NC(=[NH+]OCC(=O)NC1CC1)c1ccccc1C[NH+]1CCCCC1 ZINC000263717076 443237527 /nfs/dbraw/zinc/23/75/27/443237527.db2.gz JCBBBGQALOWBTI-UHFFFAOYSA-N 2 2 330.432 1.588 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919240 443518155 /nfs/dbraw/zinc/51/81/55/443518155.db2.gz ZQCLUKAIXKNPAM-PBHICJAKSA-N 2 2 330.432 1.579 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919240 443518158 /nfs/dbraw/zinc/51/81/58/443518158.db2.gz ZQCLUKAIXKNPAM-PBHICJAKSA-N 2 2 330.432 1.579 20 30 EDEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000274389030 443605029 /nfs/dbraw/zinc/60/50/29/443605029.db2.gz KCGVDXOXKNQKBU-UHFFFAOYSA-N 2 2 335.448 1.782 20 30 EDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000274389030 443605032 /nfs/dbraw/zinc/60/50/32/443605032.db2.gz KCGVDXOXKNQKBU-UHFFFAOYSA-N 2 2 335.448 1.782 20 30 EDEDLP C=CCCO[C@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275832866 443644466 /nfs/dbraw/zinc/64/44/66/443644466.db2.gz WYSZYCKWCLNOBM-CVEARBPZSA-N 2 2 346.475 1.872 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455951 443917437 /nfs/dbraw/zinc/91/74/37/443917437.db2.gz VAMMSSVOUVDHRD-ZWKOTPCHSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455951 443917439 /nfs/dbraw/zinc/91/74/39/443917439.db2.gz VAMMSSVOUVDHRD-ZWKOTPCHSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455951 443917442 /nfs/dbraw/zinc/91/74/42/443917442.db2.gz VAMMSSVOUVDHRD-ZWKOTPCHSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455951 443917445 /nfs/dbraw/zinc/91/74/45/443917445.db2.gz VAMMSSVOUVDHRD-ZWKOTPCHSA-N 2 2 328.460 1.622 20 30 EDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000562957000 321083394 /nfs/dbraw/zinc/08/33/94/321083394.db2.gz HWRCHNRSNKAZDP-ZTFGCOKTSA-N 2 2 342.443 1.016 20 30 EDEDLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000569036189 321315692 /nfs/dbraw/zinc/31/56/92/321315692.db2.gz VBVAIEXFIPEEBO-UHFFFAOYSA-N 2 2 336.461 1.191 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297479314 444291367 /nfs/dbraw/zinc/29/13/67/444291367.db2.gz ZNWUKLBRBDNDNO-UHFFFAOYSA-N 2 2 337.427 1.798 20 30 EDEDLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331246434 444456697 /nfs/dbraw/zinc/45/66/97/444456697.db2.gz VGKNJCWIOWCBSB-UHFFFAOYSA-N 2 2 333.436 1.543 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329537018 444620000 /nfs/dbraw/zinc/62/00/00/444620000.db2.gz BJFLDDRPWMUFSH-BZUAXINKSA-N 2 2 347.463 1.155 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329537018 444620002 /nfs/dbraw/zinc/62/00/02/444620002.db2.gz BJFLDDRPWMUFSH-BZUAXINKSA-N 2 2 347.463 1.155 20 30 EDEDLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000329825518 444730331 /nfs/dbraw/zinc/73/03/31/444730331.db2.gz BZGVIEJDQHVGTL-KRWDZBQOSA-N 2 2 333.432 1.306 20 30 EDEDLP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000329825518 444730335 /nfs/dbraw/zinc/73/03/35/444730335.db2.gz BZGVIEJDQHVGTL-KRWDZBQOSA-N 2 2 333.432 1.306 20 30 EDEDLP CN(C(=O)NCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000334075857 444771230 /nfs/dbraw/zinc/77/12/30/444771230.db2.gz ASPGHIVQKAPOGW-IRXDYDNUSA-N 2 2 335.496 1.879 20 30 EDEDLP CN(C(=O)NCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000334075857 444771231 /nfs/dbraw/zinc/77/12/31/444771231.db2.gz ASPGHIVQKAPOGW-IRXDYDNUSA-N 2 2 335.496 1.879 20 30 EDEDLP CCC[NH+]1CCC(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000329945893 444780195 /nfs/dbraw/zinc/78/01/95/444780195.db2.gz XNINPZMZXALSND-MRXNPFEDSA-N 2 2 348.495 1.497 20 30 EDEDLP [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330169791 444871442 /nfs/dbraw/zinc/87/14/42/444871442.db2.gz BNESGYYEGPZOQR-XHSDSOJGSA-N 2 2 347.463 1.079 20 30 EDEDLP [O-]C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330169791 444871446 /nfs/dbraw/zinc/87/14/46/444871446.db2.gz BNESGYYEGPZOQR-XHSDSOJGSA-N 2 2 347.463 1.079 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337200471 444982678 /nfs/dbraw/zinc/98/26/78/444982678.db2.gz FDRYGIXMXYBGGW-AZUAARDMSA-N 2 2 343.471 1.342 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000337200471 444982681 /nfs/dbraw/zinc/98/26/81/444982681.db2.gz FDRYGIXMXYBGGW-AZUAARDMSA-N 2 2 343.471 1.342 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000337200471 444982687 /nfs/dbraw/zinc/98/26/87/444982687.db2.gz FDRYGIXMXYBGGW-AZUAARDMSA-N 2 2 343.471 1.342 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000337200471 444982690 /nfs/dbraw/zinc/98/26/90/444982690.db2.gz FDRYGIXMXYBGGW-AZUAARDMSA-N 2 2 343.471 1.342 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186647 444977537 /nfs/dbraw/zinc/97/75/37/444977537.db2.gz DHOZODQIFSWOCE-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186647 444977541 /nfs/dbraw/zinc/97/75/41/444977541.db2.gz DHOZODQIFSWOCE-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186647 444977545 /nfs/dbraw/zinc/97/75/45/444977545.db2.gz DHOZODQIFSWOCE-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000337186647 444977548 /nfs/dbraw/zinc/97/75/48/444977548.db2.gz DHOZODQIFSWOCE-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354577272 445300655 /nfs/dbraw/zinc/30/06/55/445300655.db2.gz RQUBMYGAVJIRBV-UHFFFAOYSA-N 2 2 344.444 1.489 20 30 EDEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352803429 445556222 /nfs/dbraw/zinc/55/62/22/445556222.db2.gz ODLHEEILPBAHCK-MRXNPFEDSA-N 2 2 349.475 1.703 20 30 EDEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352803429 445556226 /nfs/dbraw/zinc/55/62/26/445556226.db2.gz ODLHEEILPBAHCK-MRXNPFEDSA-N 2 2 349.475 1.703 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000369272530 446037606 /nfs/dbraw/zinc/03/76/06/446037606.db2.gz BSMKDSLNARHCNJ-DKFQHHCZSA-N 2 2 338.455 1.856 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccccc3C#N)C2)CC1 ZINC000369272530 446037610 /nfs/dbraw/zinc/03/76/10/446037610.db2.gz BSMKDSLNARHCNJ-DKFQHHCZSA-N 2 2 338.455 1.856 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117629 446510750 /nfs/dbraw/zinc/51/07/50/446510750.db2.gz RIPHVYLIHARXBE-GOSISDBHSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117629 446510754 /nfs/dbraw/zinc/51/07/54/446510754.db2.gz RIPHVYLIHARXBE-GOSISDBHSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367117629 446510757 /nfs/dbraw/zinc/51/07/57/446510757.db2.gz RIPHVYLIHARXBE-GOSISDBHSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367117629 446510761 /nfs/dbraw/zinc/51/07/61/446510761.db2.gz RIPHVYLIHARXBE-GOSISDBHSA-N 2 2 336.524 1.511 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000527191903 448179445 /nfs/dbraw/zinc/17/94/45/448179445.db2.gz OUTFDZQHGCZLCF-UHFFFAOYSA-N 2 2 337.383 1.663 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000563346959 448296040 /nfs/dbraw/zinc/29/60/40/448296040.db2.gz HYTMXKDNBABBOD-HNNXBMFYSA-N 2 2 331.395 1.307 20 30 EDEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000591756777 448482986 /nfs/dbraw/zinc/48/29/86/448482986.db2.gz DCHWOOIZBZDQIT-APWZRJJASA-N 2 2 345.491 1.403 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590243087 449119501 /nfs/dbraw/zinc/11/95/01/449119501.db2.gz JGIHZVFJLFGQTM-HNNXBMFYSA-N 2 2 327.432 1.160 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590243087 449119504 /nfs/dbraw/zinc/11/95/04/449119504.db2.gz JGIHZVFJLFGQTM-HNNXBMFYSA-N 2 2 327.432 1.160 20 30 EDEDLP C[C@@]1(C#N)CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000595979498 449296370 /nfs/dbraw/zinc/29/63/70/449296370.db2.gz ARTYGPNJCFYJAV-HKUYNNGSSA-N 2 2 337.427 1.563 20 30 EDEDLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594440053 449519871 /nfs/dbraw/zinc/51/98/71/449519871.db2.gz YVTKPLGAAWNOMC-SFHVURJKSA-N 2 2 343.475 1.784 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559257 450051647 /nfs/dbraw/zinc/05/16/47/450051647.db2.gz DTDHKRLVZKOIGW-LJQANCHMSA-N 2 2 340.471 1.728 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559257 450051651 /nfs/dbraw/zinc/05/16/51/450051651.db2.gz DTDHKRLVZKOIGW-LJQANCHMSA-N 2 2 340.471 1.728 20 30 EDEDLP C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678752581 487359715 /nfs/dbraw/zinc/35/97/15/487359715.db2.gz TYQFZTGEEPCIKC-OAHLLOKOSA-N 2 2 344.459 1.545 20 30 EDEDLP C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678752581 487359717 /nfs/dbraw/zinc/35/97/17/487359717.db2.gz TYQFZTGEEPCIKC-OAHLLOKOSA-N 2 2 344.459 1.545 20 30 EDEDLP C=CCOCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154673449 526733428 /nfs/dbraw/zinc/73/34/28/526733428.db2.gz GKDNFDJYROLMTP-JWTNVVGKSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCOCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154673449 526733436 /nfs/dbraw/zinc/73/34/36/526733436.db2.gz GKDNFDJYROLMTP-JWTNVVGKSA-N 2 2 335.492 1.739 20 30 EDEDLP C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821223 527099130 /nfs/dbraw/zinc/09/91/30/527099130.db2.gz AKISQIAALBHIFH-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821223 527099134 /nfs/dbraw/zinc/09/91/34/527099134.db2.gz AKISQIAALBHIFH-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP N#Cc1cccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000729543064 578581640 /nfs/dbraw/zinc/58/16/40/578581640.db2.gz FCJWVDTYKHABDR-KRWDZBQOSA-N 2 2 329.444 1.858 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000746205363 579576413 /nfs/dbraw/zinc/57/64/13/579576413.db2.gz MMDHNDDEXDMSHC-IRXDYDNUSA-N 2 2 341.459 1.258 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000746205363 579576414 /nfs/dbraw/zinc/57/64/14/579576414.db2.gz MMDHNDDEXDMSHC-IRXDYDNUSA-N 2 2 341.459 1.258 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)Cc2ccccc2O)CC1 ZINC000748812602 579700861 /nfs/dbraw/zinc/70/08/61/579700861.db2.gz KCJUHNXZOIVZQN-UHFFFAOYSA-N 2 2 329.444 1.382 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)Cc2ccccc2O)CC1 ZINC000748812602 579700862 /nfs/dbraw/zinc/70/08/62/579700862.db2.gz KCJUHNXZOIVZQN-UHFFFAOYSA-N 2 2 329.444 1.382 20 30 EDEDLP N#Cc1cccn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1=O ZINC000758249070 579978346 /nfs/dbraw/zinc/97/83/46/579978346.db2.gz OFHKECVPRREBLS-UHFFFAOYSA-N 2 2 344.459 1.502 20 30 EDEDLP C#CCSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000764453789 580120496 /nfs/dbraw/zinc/12/04/96/580120496.db2.gz LDGCQBOFJLWFOI-AWEZNQCLSA-N 2 2 337.493 1.348 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894863864 591449440 /nfs/dbraw/zinc/44/94/40/591449440.db2.gz YKOFHLZYTOHGLQ-UHFFFAOYSA-N 2 2 342.896 1.678 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894863864 591449443 /nfs/dbraw/zinc/44/94/43/591449443.db2.gz YKOFHLZYTOHGLQ-UHFFFAOYSA-N 2 2 342.896 1.678 20 30 EDEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCN(O)C3=O)CC2)cc1 ZINC000895160894 591626962 /nfs/dbraw/zinc/62/69/62/591626962.db2.gz CJKXUKPPKJTSNE-KRWDZBQOSA-N 2 2 332.448 1.691 20 30 EDEDLP COc1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000902226587 591949601 /nfs/dbraw/zinc/94/96/01/591949601.db2.gz QFZVEBGUPAQLCJ-UHFFFAOYSA-N 2 2 346.387 1.353 20 30 EDEDLP COC(=O)N1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901462197 592370203 /nfs/dbraw/zinc/37/02/03/592370203.db2.gz RTHRQMKWNSSPBO-QGVJZHQLSA-N 2 2 341.371 1.272 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905441624 592535312 /nfs/dbraw/zinc/53/53/12/592535312.db2.gz VIICCEQSCRKEJL-SFHVURJKSA-N 2 2 326.444 1.522 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000905441624 592535315 /nfs/dbraw/zinc/53/53/15/592535315.db2.gz VIICCEQSCRKEJL-SFHVURJKSA-N 2 2 326.444 1.522 20 30 EDEDLP C#CCCCC[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819153145 593741759 /nfs/dbraw/zinc/74/17/59/593741759.db2.gz BPAPLYLNYXPGDE-IBGZPJMESA-N 2 2 345.487 1.571 20 30 EDEDLP C=C(C)CC[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819345947 593751428 /nfs/dbraw/zinc/75/14/28/593751428.db2.gz ASOQHAZUEPFEBU-SFHVURJKSA-N 2 2 333.476 1.734 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000819409400 593753763 /nfs/dbraw/zinc/75/37/63/593753763.db2.gz AWWNTBUALIJHNT-IBGZPJMESA-N 2 2 345.491 1.447 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000819409400 593753764 /nfs/dbraw/zinc/75/37/64/593753764.db2.gz AWWNTBUALIJHNT-IBGZPJMESA-N 2 2 345.491 1.447 20 30 EDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000819409400 593753765 /nfs/dbraw/zinc/75/37/65/593753765.db2.gz AWWNTBUALIJHNT-IBGZPJMESA-N 2 2 345.491 1.447 20 30 EDEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000819409400 593753766 /nfs/dbraw/zinc/75/37/66/593753766.db2.gz AWWNTBUALIJHNT-IBGZPJMESA-N 2 2 345.491 1.447 20 30 EDEDLP C#CCSCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000121418148 594843739 /nfs/dbraw/zinc/84/37/39/594843739.db2.gz SLFKMEZNNYCBJZ-UHFFFAOYSA-N 2 2 326.510 1.020 20 30 EDEDLP C#CCSCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000121418148 594843742 /nfs/dbraw/zinc/84/37/42/594843742.db2.gz SLFKMEZNNYCBJZ-UHFFFAOYSA-N 2 2 326.510 1.020 20 30 EDEDLP C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852098097 596043220 /nfs/dbraw/zinc/04/32/20/596043220.db2.gz FLAIUTLOQNRQCK-LJQANCHMSA-N 2 2 329.444 1.849 20 30 EDEDLP C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000883399630 597732232 /nfs/dbraw/zinc/73/22/32/597732232.db2.gz SDCXNMCAPYSHAA-GOSISDBHSA-N 2 2 334.460 1.814 20 30 EDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001031730334 698069359 /nfs/dbraw/zinc/06/93/59/698069359.db2.gz KIDQTGWHPMUYIN-SFHVURJKSA-N 2 2 349.438 1.880 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851378 700952375 /nfs/dbraw/zinc/95/23/75/700952375.db2.gz WNQYJMBXCMIBAI-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851378 700952377 /nfs/dbraw/zinc/95/23/77/700952377.db2.gz WNQYJMBXCMIBAI-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032205973 702121147 /nfs/dbraw/zinc/12/11/47/702121147.db2.gz NZZPEEMOIKMHIR-LJQANCHMSA-N 2 2 340.471 1.981 20 30 EDEDLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032205973 702121152 /nfs/dbraw/zinc/12/11/52/702121152.db2.gz NZZPEEMOIKMHIR-LJQANCHMSA-N 2 2 340.471 1.981 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123812 702298200 /nfs/dbraw/zinc/29/82/00/702298200.db2.gz WLMXMBMMHIQCOT-WBVHZDCISA-N 2 2 337.427 1.731 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123812 702298206 /nfs/dbraw/zinc/29/82/06/702298206.db2.gz WLMXMBMMHIQCOT-WBVHZDCISA-N 2 2 337.427 1.731 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000997094648 703333709 /nfs/dbraw/zinc/33/37/09/703333709.db2.gz VJGAFQMXXMIZIB-RDTXWAMCSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000997094648 703333711 /nfs/dbraw/zinc/33/37/11/703333711.db2.gz VJGAFQMXXMIZIB-RDTXWAMCSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997186419 703475633 /nfs/dbraw/zinc/47/56/33/703475633.db2.gz JLAWSARTQTXKTA-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(Br)C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997210678 703510179 /nfs/dbraw/zinc/51/01/79/703510179.db2.gz LQSVXYWAPNAKDA-UHFFFAOYSA-N 2 2 341.253 1.750 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998265428 705632992 /nfs/dbraw/zinc/63/29/92/705632992.db2.gz HWJCSZUGMNARHZ-CHWSQXEVSA-N 2 2 330.354 1.897 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998265428 705632994 /nfs/dbraw/zinc/63/29/94/705632994.db2.gz HWJCSZUGMNARHZ-CHWSQXEVSA-N 2 2 330.354 1.897 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580016 708259686 /nfs/dbraw/zinc/25/96/86/708259686.db2.gz COMKEXKFQZATNW-KBPBESRZSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580016 708259690 /nfs/dbraw/zinc/25/96/90/708259690.db2.gz COMKEXKFQZATNW-KBPBESRZSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033580016 708259694 /nfs/dbraw/zinc/25/96/94/708259694.db2.gz COMKEXKFQZATNW-KBPBESRZSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033580016 708259696 /nfs/dbraw/zinc/25/96/96/708259696.db2.gz COMKEXKFQZATNW-KBPBESRZSA-N 2 2 344.297 1.770 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033839068 708869472 /nfs/dbraw/zinc/86/94/72/708869472.db2.gz PKAPUPDORQGREJ-MAUKXSAKSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033839068 708869473 /nfs/dbraw/zinc/86/94/73/708869473.db2.gz PKAPUPDORQGREJ-MAUKXSAKSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033839068 708869477 /nfs/dbraw/zinc/86/94/77/708869477.db2.gz PKAPUPDORQGREJ-MAUKXSAKSA-N 2 2 343.475 1.736 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033839068 708869481 /nfs/dbraw/zinc/86/94/81/708869481.db2.gz PKAPUPDORQGREJ-MAUKXSAKSA-N 2 2 343.475 1.736 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003318075 710246649 /nfs/dbraw/zinc/24/66/49/710246649.db2.gz DQCDNIYWPCJYGI-UHFFFAOYSA-N 2 2 337.427 1.844 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969771 711049908 /nfs/dbraw/zinc/04/99/08/711049908.db2.gz ZVAKVLPACKGMCO-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969771 711049913 /nfs/dbraw/zinc/04/99/13/711049913.db2.gz ZVAKVLPACKGMCO-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969771 711049918 /nfs/dbraw/zinc/04/99/18/711049918.db2.gz ZVAKVLPACKGMCO-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969771 711049924 /nfs/dbraw/zinc/04/99/24/711049924.db2.gz ZVAKVLPACKGMCO-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644829 712152874 /nfs/dbraw/zinc/15/28/74/712152874.db2.gz JVPHRMQTXSXQOH-KURKYZTESA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644829 712152875 /nfs/dbraw/zinc/15/28/75/712152875.db2.gz JVPHRMQTXSXQOH-KURKYZTESA-N 2 2 340.471 1.639 20 30 EDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328648554 539340989 /nfs/dbraw/zinc/34/09/89/539340989.db2.gz IEHWHXYVHVDNOW-CVEARBPZSA-N 2 2 331.464 1.892 20 30 EDEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328648554 539340993 /nfs/dbraw/zinc/34/09/93/539340993.db2.gz IEHWHXYVHVDNOW-CVEARBPZSA-N 2 2 331.464 1.892 20 30 EDEDLP C=C(C)CNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264100103 249335028 /nfs/dbraw/zinc/33/50/28/249335028.db2.gz NVSVZRDSWQKORC-UHFFFAOYSA-N 2 2 332.448 1.378 20 30 EDEDLP C=CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342735326 250008978 /nfs/dbraw/zinc/00/89/78/250008978.db2.gz NFCGNVYDBRQWTJ-UHFFFAOYSA-N 2 2 331.460 1.643 20 30 EDEDLP C=CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342735326 250008981 /nfs/dbraw/zinc/00/89/81/250008981.db2.gz NFCGNVYDBRQWTJ-UHFFFAOYSA-N 2 2 331.460 1.643 20 30 EDEDLP OC1(C[NH+]2CCOCC2)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000374797418 250272029 /nfs/dbraw/zinc/27/20/29/250272029.db2.gz FICBEYRVOXCQOL-UHFFFAOYSA-N 2 2 332.419 1.336 20 30 EDEDLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424145716 252144083 /nfs/dbraw/zinc/14/40/83/252144083.db2.gz OICPYPCNCBWCAV-MRXNPFEDSA-N 2 2 325.416 1.911 20 30 EDEDLP C#CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000491728247 255145825 /nfs/dbraw/zinc/14/58/25/255145825.db2.gz AQNJNNCLTFNUMV-UHFFFAOYSA-N 2 2 341.455 1.233 20 30 EDEDLP C#CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000491728247 255145826 /nfs/dbraw/zinc/14/58/26/255145826.db2.gz AQNJNNCLTFNUMV-UHFFFAOYSA-N 2 2 341.455 1.233 20 30 EDEDLP COCCNC(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000130684282 533339250 /nfs/dbraw/zinc/33/92/50/533339250.db2.gz QICUUBKLXIZGSA-UHFFFAOYSA-N 2 2 339.871 1.013 20 30 EDEDLP C[N@H+]([C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000358030529 151239794 /nfs/dbraw/zinc/23/97/94/151239794.db2.gz ARLUROFZTVXZRD-GOSISDBHSA-N 2 2 342.443 1.052 20 30 EDEDLP C[N@@H+]([C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000358030529 151239795 /nfs/dbraw/zinc/23/97/95/151239795.db2.gz ARLUROFZTVXZRD-GOSISDBHSA-N 2 2 342.443 1.052 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000372424433 156383727 /nfs/dbraw/zinc/38/37/27/156383727.db2.gz FCFVMTLCZZMNRL-MAUKXSAKSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000372424433 156383729 /nfs/dbraw/zinc/38/37/29/156383729.db2.gz FCFVMTLCZZMNRL-MAUKXSAKSA-N 2 2 337.427 1.954 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104718547 441201887 /nfs/dbraw/zinc/20/18/87/441201887.db2.gz FCSBTALPACICFC-UHFFFAOYSA-N 2 2 332.448 1.637 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960928 441212090 /nfs/dbraw/zinc/21/20/90/441212090.db2.gz LJVFMTZJGNTQBC-HOTGVXAUSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960928 441212095 /nfs/dbraw/zinc/21/20/95/441212095.db2.gz LJVFMTZJGNTQBC-HOTGVXAUSA-N 2 2 326.400 1.901 20 30 EDEDLP CC[NH+]=C(NCCn1cc(C)cn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159962195 441851343 /nfs/dbraw/zinc/85/13/43/441851343.db2.gz AZFZWFVSDLPKPT-IAGOWNOFSA-N 2 2 343.479 1.937 20 30 EDEDLP C=CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000121227919 442193939 /nfs/dbraw/zinc/19/39/39/442193939.db2.gz SZJKVYDDCUVYTC-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C=CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000121227919 442193943 /nfs/dbraw/zinc/19/39/43/442193943.db2.gz SZJKVYDDCUVYTC-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C=CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000121227919 442193946 /nfs/dbraw/zinc/19/39/46/442193946.db2.gz SZJKVYDDCUVYTC-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C=CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000121227919 442193949 /nfs/dbraw/zinc/19/39/49/442193949.db2.gz SZJKVYDDCUVYTC-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000155069864 442374098 /nfs/dbraw/zinc/37/40/98/442374098.db2.gz IDDMYLAGPMHNJA-LJQANCHMSA-N 2 2 340.471 1.340 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000155069864 442374099 /nfs/dbraw/zinc/37/40/99/442374099.db2.gz IDDMYLAGPMHNJA-LJQANCHMSA-N 2 2 340.471 1.340 20 30 EDEDLP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262006025 443179176 /nfs/dbraw/zinc/17/91/76/443179176.db2.gz VQIBXKDSRRSPSO-UONOGXRCSA-N 2 2 342.451 1.079 20 30 EDEDLP C[NH+]=C(NCCNC(=O)C(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262015200 443180499 /nfs/dbraw/zinc/18/04/99/443180499.db2.gz XOEOEXRUYNEWHK-HUUCEWRRSA-N 2 2 334.468 1.114 20 30 EDEDLP CN(C)C(=[NH+]Cc1ccccc1OCC[NH+]1CCOCC1)N(C)C ZINC000264115681 443249594 /nfs/dbraw/zinc/24/95/94/443249594.db2.gz SPZHLGNZFPGARV-UHFFFAOYSA-N 2 2 334.464 1.377 20 30 EDEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142810 443272278 /nfs/dbraw/zinc/27/22/78/443272278.db2.gz KQWUANZXVFTUTG-WMZOPIPTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142810 443272281 /nfs/dbraw/zinc/27/22/81/443272281.db2.gz KQWUANZXVFTUTG-WMZOPIPTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142810 443272283 /nfs/dbraw/zinc/27/22/83/443272283.db2.gz KQWUANZXVFTUTG-WMZOPIPTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246142810 443272287 /nfs/dbraw/zinc/27/22/87/443272287.db2.gz KQWUANZXVFTUTG-WMZOPIPTSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272480410 443333388 /nfs/dbraw/zinc/33/33/88/443333388.db2.gz UVWVUTUIZFCXHP-UHFFFAOYSA-N 2 2 326.404 1.575 20 30 EDEDLP Cn1c(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)nnc1C1CC1 ZINC000273593671 443582223 /nfs/dbraw/zinc/58/22/23/443582223.db2.gz VAOIVRKLZQEJAW-UHFFFAOYSA-N 2 2 328.420 1.591 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(CCO)CCOC3)CC2)cc1 ZINC000305797152 444281527 /nfs/dbraw/zinc/28/15/27/444281527.db2.gz VYRLAUSDXFKCQL-FQEVSTJZSA-N 2 2 343.471 1.901 20 30 EDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cn[nH]c1 ZINC000328777755 444349411 /nfs/dbraw/zinc/34/94/11/444349411.db2.gz DGQKEOLAWDSQQR-ZDUSSCGKSA-N 2 2 334.468 1.533 20 30 EDEDLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000328861023 444378151 /nfs/dbraw/zinc/37/81/51/444378151.db2.gz YVZSZLAIKSSGPS-HNNXBMFYSA-N 2 2 345.447 1.159 20 30 EDEDLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000328861023 444378154 /nfs/dbraw/zinc/37/81/54/444378154.db2.gz YVZSZLAIKSSGPS-HNNXBMFYSA-N 2 2 345.447 1.159 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000329030608 444451579 /nfs/dbraw/zinc/45/15/79/444451579.db2.gz AWACEEUPTWQHIN-QGZVFWFLSA-N 2 2 325.453 1.309 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000329030608 444451582 /nfs/dbraw/zinc/45/15/82/444451582.db2.gz AWACEEUPTWQHIN-QGZVFWFLSA-N 2 2 325.453 1.309 20 30 EDEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329177390 444492796 /nfs/dbraw/zinc/49/27/96/444492796.db2.gz NDQNEODUESEHKW-AWEZNQCLSA-N 2 2 334.468 1.139 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752907 444499489 /nfs/dbraw/zinc/49/94/89/444499489.db2.gz KFXDUNMTFHUBCQ-CRAIPNDOSA-N 2 2 326.444 1.400 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752907 444499492 /nfs/dbraw/zinc/49/94/92/444499492.db2.gz KFXDUNMTFHUBCQ-CRAIPNDOSA-N 2 2 326.444 1.400 20 30 EDEDLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000329377690 444555410 /nfs/dbraw/zinc/55/54/10/444555410.db2.gz MHGPLORGDDVWSU-QGZVFWFLSA-N 2 2 333.432 1.562 20 30 EDEDLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000329377690 444555412 /nfs/dbraw/zinc/55/54/12/444555412.db2.gz MHGPLORGDDVWSU-QGZVFWFLSA-N 2 2 333.432 1.562 20 30 EDEDLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000329583304 444638201 /nfs/dbraw/zinc/63/82/01/444638201.db2.gz QPMFCHLWTMLDDW-AWEZNQCLSA-N 2 2 330.436 1.058 20 30 EDEDLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000329583304 444638203 /nfs/dbraw/zinc/63/82/03/444638203.db2.gz QPMFCHLWTMLDDW-AWEZNQCLSA-N 2 2 330.436 1.058 20 30 EDEDLP CCN1CCN(CC(=O)NC2CC[NH+](CC)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960736 444787288 /nfs/dbraw/zinc/78/72/88/444787288.db2.gz RUADXHLTMRZJLT-MRXNPFEDSA-N 2 2 348.495 1.529 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000330096098 444842377 /nfs/dbraw/zinc/84/23/77/444842377.db2.gz WTLQVNZLVVAVDH-UHFFFAOYSA-N 2 2 346.435 1.250 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000330096098 444842381 /nfs/dbraw/zinc/84/23/81/444842381.db2.gz WTLQVNZLVVAVDH-UHFFFAOYSA-N 2 2 346.435 1.250 20 30 EDEDLP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330323083 444936221 /nfs/dbraw/zinc/93/62/21/444936221.db2.gz HJRAWEKDYYSYSC-YCPHGPKFSA-N 2 2 335.452 1.628 20 30 EDEDLP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330323083 444936224 /nfs/dbraw/zinc/93/62/24/444936224.db2.gz HJRAWEKDYYSYSC-YCPHGPKFSA-N 2 2 335.452 1.628 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364842783 445960839 /nfs/dbraw/zinc/96/08/39/445960839.db2.gz BATZPTPTFNJFDK-MJGOQNOKSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364842783 445960841 /nfs/dbraw/zinc/96/08/41/445960841.db2.gz BATZPTPTFNJFDK-MJGOQNOKSA-N 2 2 337.508 1.842 20 30 EDEDLP COc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1C#N ZINC000583502880 326086330 /nfs/dbraw/zinc/08/63/30/326086330.db2.gz IDIQCECAOYVXFB-UHFFFAOYSA-N 2 2 329.444 1.893 20 30 EDEDLP C#Cc1ccccc1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365599520 446268336 /nfs/dbraw/zinc/26/83/36/446268336.db2.gz DURBUZHQTPSPBM-KRWDZBQOSA-N 2 2 339.483 1.837 20 30 EDEDLP C#Cc1ccccc1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365599520 446268340 /nfs/dbraw/zinc/26/83/40/446268340.db2.gz DURBUZHQTPSPBM-KRWDZBQOSA-N 2 2 339.483 1.837 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375507061 446859345 /nfs/dbraw/zinc/85/93/45/446859345.db2.gz FYOIZCTUJCNLEU-HEHGZKQESA-N 2 2 336.505 1.942 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375507061 446859350 /nfs/dbraw/zinc/85/93/50/446859350.db2.gz FYOIZCTUJCNLEU-HEHGZKQESA-N 2 2 336.505 1.942 20 30 EDEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000371663486 446946169 /nfs/dbraw/zinc/94/61/69/446946169.db2.gz KBCNKTPXWNRNFM-LJQANCHMSA-N 2 2 343.471 1.195 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491022421 447917895 /nfs/dbraw/zinc/91/78/95/447917895.db2.gz QWUZSFMMMNKFQU-KGLIPLIRSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000491022421 447917898 /nfs/dbraw/zinc/91/78/98/447917898.db2.gz QWUZSFMMMNKFQU-KGLIPLIRSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000491758594 448108804 /nfs/dbraw/zinc/10/88/04/448108804.db2.gz IHZOKUKWMKKAOI-QGZVFWFLSA-N 2 2 349.862 1.395 20 30 EDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000577526900 448322429 /nfs/dbraw/zinc/32/24/29/448322429.db2.gz NQRIVSFJOPHJLB-KRWDZBQOSA-N 2 2 347.459 1.123 20 30 EDEDLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C[NH+](C)C ZINC000566557238 448506280 /nfs/dbraw/zinc/50/62/80/448506280.db2.gz SDQWFLQASRQBFP-CYBMUJFWSA-N 2 2 338.477 1.293 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)CC1 ZINC000516963605 448509418 /nfs/dbraw/zinc/50/94/18/448509418.db2.gz YXYSVNGRBZAQBF-UHFFFAOYSA-N 2 2 328.464 1.653 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)CC1 ZINC000516963605 448509425 /nfs/dbraw/zinc/50/94/25/448509425.db2.gz YXYSVNGRBZAQBF-UHFFFAOYSA-N 2 2 328.464 1.653 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600757344 449536371 /nfs/dbraw/zinc/53/63/71/449536371.db2.gz SPINZYRZYHBGIB-MSOLQXFVSA-N 2 2 329.444 1.904 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600757344 449536374 /nfs/dbraw/zinc/53/63/74/449536374.db2.gz SPINZYRZYHBGIB-MSOLQXFVSA-N 2 2 329.444 1.904 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559786 450051550 /nfs/dbraw/zinc/05/15/50/450051550.db2.gz OGFAUXMNQRMIIP-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559786 450051554 /nfs/dbraw/zinc/05/15/54/450051554.db2.gz OGFAUXMNQRMIIP-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470765 450163839 /nfs/dbraw/zinc/16/38/39/450163839.db2.gz RWVHVAGWIGZJSB-SJORKVTESA-N 2 2 336.480 1.181 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470765 450163843 /nfs/dbraw/zinc/16/38/43/450163843.db2.gz RWVHVAGWIGZJSB-SJORKVTESA-N 2 2 336.480 1.181 20 30 EDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657918832 452611136 /nfs/dbraw/zinc/61/11/36/452611136.db2.gz HQBNSNIHHVUWEC-KZNAEPCWSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000106339624 526593203 /nfs/dbraw/zinc/59/32/03/526593203.db2.gz AJEBQXRQNHAKSO-HZPDHXFCSA-N 2 2 338.496 1.435 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264074702 535550017 /nfs/dbraw/zinc/55/00/17/535550017.db2.gz FIHYWPPJMRNTDK-MRXNPFEDSA-N 3 2 326.448 1.761 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000264074702 535550022 /nfs/dbraw/zinc/55/00/22/535550022.db2.gz FIHYWPPJMRNTDK-MRXNPFEDSA-N 3 2 326.448 1.761 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)CC1 ZINC000748816128 579701434 /nfs/dbraw/zinc/70/14/34/579701434.db2.gz GAHMRNCOTMGZRB-HXUWFJFHSA-N 2 2 339.483 1.779 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)CC1 ZINC000748816128 579701435 /nfs/dbraw/zinc/70/14/35/579701435.db2.gz GAHMRNCOTMGZRB-HXUWFJFHSA-N 2 2 339.483 1.779 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000748824975 579702458 /nfs/dbraw/zinc/70/24/58/579702458.db2.gz QIXFHTGCAZAZBV-OXJNMPFZSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000748824975 579702460 /nfs/dbraw/zinc/70/24/60/579702460.db2.gz QIXFHTGCAZAZBV-OXJNMPFZSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000748824979 579702579 /nfs/dbraw/zinc/70/25/79/579702579.db2.gz QIXFHTGCAZAZBV-UZLBHIALSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000748824979 579702580 /nfs/dbraw/zinc/70/25/80/579702580.db2.gz QIXFHTGCAZAZBV-UZLBHIALSA-N 2 2 343.446 1.986 20 30 EDEDLP C=CC[N@@H+](CCc1ccco1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000778584753 580468011 /nfs/dbraw/zinc/46/80/11/580468011.db2.gz IBQWQPLRBFVTAC-UHFFFAOYSA-N 2 2 346.431 1.284 20 30 EDEDLP C=CC[N@H+](CCc1ccco1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000778584753 580468012 /nfs/dbraw/zinc/46/80/12/580468012.db2.gz IBQWQPLRBFVTAC-UHFFFAOYSA-N 2 2 346.431 1.284 20 30 EDEDLP C[C@@H]1C[C@H](CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029494 580592013 /nfs/dbraw/zinc/59/20/13/580592013.db2.gz NXWCURALMGTATD-NVXWUHKLSA-N 2 2 347.459 1.971 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892561986 591074358 /nfs/dbraw/zinc/07/43/58/591074358.db2.gz WVIHVRLYBPLMOK-CALCHBBNSA-N 2 2 327.432 1.123 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000910784680 592891801 /nfs/dbraw/zinc/89/18/01/592891801.db2.gz GVGCADOWGDVSEU-UHFFFAOYSA-N 2 2 337.467 1.819 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000910784680 592891802 /nfs/dbraw/zinc/89/18/02/592891802.db2.gz GVGCADOWGDVSEU-UHFFFAOYSA-N 2 2 337.467 1.819 20 30 EDEDLP CC(=NN1CC[NH+](C)CC1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000839384586 593294531 /nfs/dbraw/zinc/29/45/31/593294531.db2.gz XVOLKHKYIQRVKN-UHFFFAOYSA-N 2 2 332.448 1.196 20 30 EDEDLP C#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052892 594318966 /nfs/dbraw/zinc/31/89/66/594318966.db2.gz PTPPYRHETORXHT-SJORKVTESA-N 2 2 332.492 1.600 20 30 EDEDLP C#CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052892 594318967 /nfs/dbraw/zinc/31/89/67/594318967.db2.gz PTPPYRHETORXHT-SJORKVTESA-N 2 2 332.492 1.600 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC000829475338 594621617 /nfs/dbraw/zinc/62/16/17/594621617.db2.gz OKQGCEMOTXWUTG-UHFFFAOYSA-N 2 2 331.847 1.696 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)ccc3F)C2)CC1 ZINC000827414212 594669668 /nfs/dbraw/zinc/66/96/68/594669668.db2.gz QQVDJTVLBOFMBR-AWEZNQCLSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C#N)ccc3F)C2)CC1 ZINC000827414212 594669669 /nfs/dbraw/zinc/66/96/69/594669669.db2.gz QQVDJTVLBOFMBR-AWEZNQCLSA-N 2 2 330.407 1.596 20 30 EDEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844334167 595327424 /nfs/dbraw/zinc/32/74/24/595327424.db2.gz FYUIKWVGLBOCEE-GOSISDBHSA-N 2 2 329.444 1.418 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000856328149 595955686 /nfs/dbraw/zinc/95/56/86/595955686.db2.gz JWCICTSKEFDEMB-GOSISDBHSA-N 2 2 330.476 1.037 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000856328149 595955687 /nfs/dbraw/zinc/95/56/87/595955687.db2.gz JWCICTSKEFDEMB-GOSISDBHSA-N 2 2 330.476 1.037 20 30 EDEDLP CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OC ZINC000863552082 596615891 /nfs/dbraw/zinc/61/58/91/596615891.db2.gz JRTJJWYAGGMXQI-IRXDYDNUSA-N 2 2 347.459 1.922 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000871988040 596780074 /nfs/dbraw/zinc/78/00/74/596780074.db2.gz GUVPNYJKFWCTPO-SFHVURJKSA-N 2 2 328.460 1.011 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000871988040 596780076 /nfs/dbraw/zinc/78/00/76/596780076.db2.gz GUVPNYJKFWCTPO-SFHVURJKSA-N 2 2 328.460 1.011 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000877640628 597543384 /nfs/dbraw/zinc/54/33/84/597543384.db2.gz QKTCEZQMHKWJHC-GOSISDBHSA-N 2 2 328.460 1.655 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000877640628 597543385 /nfs/dbraw/zinc/54/33/85/597543385.db2.gz QKTCEZQMHKWJHC-GOSISDBHSA-N 2 2 328.460 1.655 20 30 EDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727150 697877697 /nfs/dbraw/zinc/87/76/97/697877697.db2.gz ADGAOELSDAYPSA-INIZCTEOSA-N 2 2 341.883 1.430 20 30 EDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727150 697877699 /nfs/dbraw/zinc/87/76/99/697877699.db2.gz ADGAOELSDAYPSA-INIZCTEOSA-N 2 2 341.883 1.430 20 30 EDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC001031783882 699212255 /nfs/dbraw/zinc/21/22/55/699212255.db2.gz IJXAZIUYCJTPQV-SFHVURJKSA-N 2 2 349.438 1.565 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921410 702243394 /nfs/dbraw/zinc/24/33/94/702243394.db2.gz HYXGPDVNWLVPAI-JKSUJKDBSA-N 2 2 330.432 1.099 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921410 702243400 /nfs/dbraw/zinc/24/34/00/702243400.db2.gz HYXGPDVNWLVPAI-JKSUJKDBSA-N 2 2 330.432 1.099 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nocc2C)C(C)(C)C1 ZINC000995922340 702246064 /nfs/dbraw/zinc/24/60/64/702246064.db2.gz KNYOVDKKEXWJNH-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nocc2C)C(C)(C)C1 ZINC000995922340 702246068 /nfs/dbraw/zinc/24/60/68/702246068.db2.gz KNYOVDKKEXWJNH-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996193944 702619958 /nfs/dbraw/zinc/61/99/58/702619958.db2.gz WPJIDKCVAQDHRU-DLBZAZTESA-N 2 2 335.492 1.642 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996193944 702619960 /nfs/dbraw/zinc/61/99/60/702619960.db2.gz WPJIDKCVAQDHRU-DLBZAZTESA-N 2 2 335.492 1.642 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996463411 702790763 /nfs/dbraw/zinc/79/07/63/702790763.db2.gz WNLOHLDERNSIRQ-AWEZNQCLSA-N 2 2 343.456 1.912 20 30 EDEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443639 703619028 /nfs/dbraw/zinc/61/90/28/703619028.db2.gz AJUBMGFNOKCTJM-ULQDDVLXSA-N 2 2 331.464 1.065 20 30 EDEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443639 703619029 /nfs/dbraw/zinc/61/90/29/703619029.db2.gz AJUBMGFNOKCTJM-ULQDDVLXSA-N 2 2 331.464 1.065 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540634 704600691 /nfs/dbraw/zinc/60/06/91/704600691.db2.gz KOSWDRQYZRESHO-BZSNNMDCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540634 704600693 /nfs/dbraw/zinc/60/06/93/704600693.db2.gz KOSWDRQYZRESHO-BZSNNMDCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001032540634 704600695 /nfs/dbraw/zinc/60/06/95/704600695.db2.gz KOSWDRQYZRESHO-BZSNNMDCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001032540634 704600697 /nfs/dbraw/zinc/60/06/97/704600697.db2.gz KOSWDRQYZRESHO-BZSNNMDCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999803103 707374116 /nfs/dbraw/zinc/37/41/16/707374116.db2.gz YMJKHSDQVKDOHE-MSOLQXFVSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999803103 707374119 /nfs/dbraw/zinc/37/41/19/707374119.db2.gz YMJKHSDQVKDOHE-MSOLQXFVSA-N 2 2 335.492 1.644 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001032827193 709291480 /nfs/dbraw/zinc/29/14/80/709291480.db2.gz UYLAWNGWGLWRSQ-JYJNAYRXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001032827193 709291485 /nfs/dbraw/zinc/29/14/85/709291485.db2.gz UYLAWNGWGLWRSQ-JYJNAYRXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001032827193 709291487 /nfs/dbraw/zinc/29/14/87/709291487.db2.gz UYLAWNGWGLWRSQ-JYJNAYRXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001032827193 709291491 /nfs/dbraw/zinc/29/14/91/709291491.db2.gz UYLAWNGWGLWRSQ-JYJNAYRXSA-N 2 2 339.430 1.710 20 30 EDEDLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000328715897 539357838 /nfs/dbraw/zinc/35/78/38/539357838.db2.gz TUVISGAMVYKGCI-UHFFFAOYSA-N 2 2 348.451 1.554 20 30 EDEDLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000329204756 539420700 /nfs/dbraw/zinc/42/07/00/539420700.db2.gz DDGKELJLYXFEOJ-QGZVFWFLSA-N 2 2 346.431 1.502 20 30 EDEDLP CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000329204756 539420703 /nfs/dbraw/zinc/42/07/03/539420703.db2.gz DDGKELJLYXFEOJ-QGZVFWFLSA-N 2 2 346.431 1.502 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000246924920 249312789 /nfs/dbraw/zinc/31/27/89/249312789.db2.gz SSRWWRBTUOUYKQ-UCLAIMLFSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000246924920 249312791 /nfs/dbraw/zinc/31/27/91/249312791.db2.gz SSRWWRBTUOUYKQ-UCLAIMLFSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000246924920 249312796 /nfs/dbraw/zinc/31/27/96/249312796.db2.gz SSRWWRBTUOUYKQ-UCLAIMLFSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000246924920 249312800 /nfs/dbraw/zinc/31/28/00/249312800.db2.gz SSRWWRBTUOUYKQ-UCLAIMLFSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000341890753 250003688 /nfs/dbraw/zinc/00/36/88/250003688.db2.gz MSRCDMBHQPRGPZ-UAFMIMERSA-N 4 2 334.552 1.819 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000341890753 250003693 /nfs/dbraw/zinc/00/36/93/250003693.db2.gz MSRCDMBHQPRGPZ-UAFMIMERSA-N 4 2 334.552 1.819 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000341890753 250003695 /nfs/dbraw/zinc/00/36/95/250003695.db2.gz MSRCDMBHQPRGPZ-UAFMIMERSA-N 4 2 334.552 1.819 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000341890753 250003700 /nfs/dbraw/zinc/00/37/00/250003700.db2.gz MSRCDMBHQPRGPZ-UAFMIMERSA-N 4 2 334.552 1.819 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373079496 250231844 /nfs/dbraw/zinc/23/18/44/250231844.db2.gz WTLJYPZTJZEGQQ-MRXNPFEDSA-N 2 2 336.480 1.586 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373079496 250231846 /nfs/dbraw/zinc/23/18/46/250231846.db2.gz WTLJYPZTJZEGQQ-MRXNPFEDSA-N 2 2 336.480 1.586 20 30 EDEDLP CO/N=C/c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921487 533116733 /nfs/dbraw/zinc/11/67/33/533116733.db2.gz WQLQKWJXGPCRHS-HMMYKYKNSA-N 2 2 346.475 1.765 20 30 EDEDLP CO/N=C/c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921487 533116737 /nfs/dbraw/zinc/11/67/37/533116737.db2.gz WQLQKWJXGPCRHS-HMMYKYKNSA-N 2 2 346.475 1.765 20 30 EDEDLP C#CCNC(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000491068764 255118337 /nfs/dbraw/zinc/11/83/37/255118337.db2.gz QTHZCWIJLVZOKU-UHFFFAOYSA-N 2 2 328.441 1.895 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000491635570 255135156 /nfs/dbraw/zinc/13/51/56/255135156.db2.gz RTWBLIGWPPLUOD-QGZVFWFLSA-N 2 2 349.500 1.175 20 30 EDEDLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(C#N)cs2)nc[nH+]1 ZINC000352842268 149186952 /nfs/dbraw/zinc/18/69/52/149186952.db2.gz UVENPBIGYHXQMW-LBPRGKRZSA-N 2 2 329.433 1.605 20 30 EDEDLP Cc1onc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000408149312 158281165 /nfs/dbraw/zinc/28/11/65/158281165.db2.gz HOXBYFNZXCYPAZ-CYBMUJFWSA-N 2 2 345.447 1.024 20 30 EDEDLP Cc1onc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C#N ZINC000408149312 158281169 /nfs/dbraw/zinc/28/11/69/158281169.db2.gz HOXBYFNZXCYPAZ-CYBMUJFWSA-N 2 2 345.447 1.024 20 30 EDEDLP C[C@@H]1CN(C(=O)C#Cc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368829 447422300 /nfs/dbraw/zinc/42/23/00/447422300.db2.gz IESMDDRCGPEIEW-QGZVFWFLSA-N 2 2 325.456 1.665 20 30 EDEDLP C[C@@H]1CN(C(=O)C#Cc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368829 447422304 /nfs/dbraw/zinc/42/23/04/447422304.db2.gz IESMDDRCGPEIEW-QGZVFWFLSA-N 2 2 325.456 1.665 20 30 EDEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057872350 441139786 /nfs/dbraw/zinc/13/97/86/441139786.db2.gz QSOOXEJURRZSBX-UHFFFAOYSA-N 2 2 340.471 1.875 20 30 EDEDLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCOCC1 ZINC000083030621 441347209 /nfs/dbraw/zinc/34/72/09/441347209.db2.gz GGKMTZJSKMCDTD-SJORKVTESA-N 2 2 346.475 1.771 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)CC1 ZINC000121304950 442201305 /nfs/dbraw/zinc/20/13/05/442201305.db2.gz QMNGOIJRIYITMN-KRWDZBQOSA-N 2 2 331.464 1.306 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC(C)(C)[NH+](C)C)CC1=O ZINC000153973040 442314099 /nfs/dbraw/zinc/31/40/99/442314099.db2.gz WTQJZFYROSAOBW-UHFFFAOYSA-N 2 2 341.459 1.986 20 30 EDEDLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000189392403 442938880 /nfs/dbraw/zinc/93/88/80/442938880.db2.gz ATWDXHOULPSLFC-HNNXBMFYSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261943151 443175794 /nfs/dbraw/zinc/17/57/94/443175794.db2.gz FAABFSWUPHASLW-LSDHHAIUSA-N 2 2 348.495 1.504 20 30 EDEDLP N#Cc1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000267421740 443451607 /nfs/dbraw/zinc/45/16/07/443451607.db2.gz USVOGFSXYPNVJU-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570938875 321365170 /nfs/dbraw/zinc/36/51/70/321365170.db2.gz AUIIZTKWFMJPRJ-SFHVURJKSA-N 2 2 344.459 1.521 20 30 EDEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570938875 321365171 /nfs/dbraw/zinc/36/51/71/321365171.db2.gz AUIIZTKWFMJPRJ-SFHVURJKSA-N 2 2 344.459 1.521 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000285997971 444172394 /nfs/dbraw/zinc/17/23/94/444172394.db2.gz GDPZNFFPMYXJJH-UHFFFAOYSA-N 2 2 343.471 1.683 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000285997971 444172397 /nfs/dbraw/zinc/17/23/97/444172397.db2.gz GDPZNFFPMYXJJH-UHFFFAOYSA-N 2 2 343.471 1.683 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752915 444499509 /nfs/dbraw/zinc/49/95/09/444499509.db2.gz KFXDUNMTFHUBCQ-YJBOKZPZSA-N 2 2 326.444 1.400 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752915 444499511 /nfs/dbraw/zinc/49/95/11/444499511.db2.gz KFXDUNMTFHUBCQ-YJBOKZPZSA-N 2 2 326.444 1.400 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000333396744 444663789 /nfs/dbraw/zinc/66/37/89/444663789.db2.gz DTLXJHUPAOBIHI-NVXWUHKLSA-N 2 2 347.463 1.590 20 30 EDEDLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(C#N)c1 ZINC000344116041 444789363 /nfs/dbraw/zinc/78/93/63/444789363.db2.gz FULVORSKHSZRDK-QGZVFWFLSA-N 2 2 330.476 1.599 20 30 EDEDLP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000348903503 445435899 /nfs/dbraw/zinc/43/58/99/445435899.db2.gz HNSMAJUJXSNYNL-UHFFFAOYSA-N 3 2 342.491 1.911 20 30 EDEDLP C=C(C)C[N@@H+](CC)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363490162 445827582 /nfs/dbraw/zinc/82/75/82/445827582.db2.gz NRMAEUFZVWODTP-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363490162 445827587 /nfs/dbraw/zinc/82/75/87/445827587.db2.gz NRMAEUFZVWODTP-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363490162 445827590 /nfs/dbraw/zinc/82/75/90/445827590.db2.gz NRMAEUFZVWODTP-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363490162 445827595 /nfs/dbraw/zinc/82/75/95/445827595.db2.gz NRMAEUFZVWODTP-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242856 445798382 /nfs/dbraw/zinc/79/83/82/445798382.db2.gz AYVRUMSXBAJVIR-MSOLQXFVSA-N 2 2 344.459 1.517 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242856 445798384 /nfs/dbraw/zinc/79/83/84/445798384.db2.gz AYVRUMSXBAJVIR-MSOLQXFVSA-N 2 2 344.459 1.517 20 30 EDEDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc(C#N)n(C)c3)CCC[N@@H+]2C)cn1 ZINC000372980851 445957550 /nfs/dbraw/zinc/95/75/50/445957550.db2.gz PMYMWDUEMSCUOI-YJBOKZPZSA-N 2 2 326.448 1.803 20 30 EDEDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc(C#N)n(C)c3)CCC[N@H+]2C)cn1 ZINC000372980851 445957556 /nfs/dbraw/zinc/95/75/56/445957556.db2.gz PMYMWDUEMSCUOI-YJBOKZPZSA-N 2 2 326.448 1.803 20 30 EDEDLP C#CCSCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364729362 445950448 /nfs/dbraw/zinc/95/04/48/445950448.db2.gz MLKAQKGVKFOXOF-INIZCTEOSA-N 2 2 338.521 1.163 20 30 EDEDLP C#CCSCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364729362 445950452 /nfs/dbraw/zinc/95/04/52/445950452.db2.gz MLKAQKGVKFOXOF-INIZCTEOSA-N 2 2 338.521 1.163 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000376556346 446575023 /nfs/dbraw/zinc/57/50/23/446575023.db2.gz YRGDMNDFVOKYPC-GOSISDBHSA-N 2 2 336.395 1.723 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000376556346 446575030 /nfs/dbraw/zinc/57/50/30/446575030.db2.gz YRGDMNDFVOKYPC-GOSISDBHSA-N 2 2 336.395 1.723 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375340356 446736021 /nfs/dbraw/zinc/73/60/21/446736021.db2.gz DKPUQGOHGRLPDS-IAGOWNOFSA-N 2 2 326.444 1.321 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000420956966 446927804 /nfs/dbraw/zinc/92/78/04/446927804.db2.gz BXWDPWWUSPCHMA-IBGZPJMESA-N 2 2 343.471 1.738 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000420956966 446927809 /nfs/dbraw/zinc/92/78/09/446927809.db2.gz BXWDPWWUSPCHMA-IBGZPJMESA-N 2 2 343.471 1.738 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000490915051 447908343 /nfs/dbraw/zinc/90/83/43/447908343.db2.gz LHELRYCYXJVQQK-AWEZNQCLSA-N 2 2 333.407 1.262 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000490912838 447908801 /nfs/dbraw/zinc/90/88/01/447908801.db2.gz BCJJQHXHCURGQI-UHFFFAOYSA-N 2 2 347.409 1.711 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000491451383 448030727 /nfs/dbraw/zinc/03/07/27/448030727.db2.gz FRASAUVIDDJWSM-GOSISDBHSA-N 2 2 329.444 1.561 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000491659431 448075746 /nfs/dbraw/zinc/07/57/46/448075746.db2.gz MQUGWHDUVJLFIO-MRXNPFEDSA-N 2 2 325.456 1.992 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000579111148 448717532 /nfs/dbraw/zinc/71/75/32/448717532.db2.gz URULQHNJVCNTQO-QRQLOZEOSA-N 2 2 329.444 1.709 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000579111148 448717539 /nfs/dbraw/zinc/71/75/39/448717539.db2.gz URULQHNJVCNTQO-QRQLOZEOSA-N 2 2 329.444 1.709 20 30 EDEDLP N#CCCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000569238099 448987823 /nfs/dbraw/zinc/98/78/23/448987823.db2.gz HESMZTJWQACOSK-UHFFFAOYSA-N 2 2 344.459 1.940 20 30 EDEDLP CN(C(=O)c1cc(O)cc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589189605 448985335 /nfs/dbraw/zinc/98/53/35/448985335.db2.gz KPZGFLCFENJQMM-QGZVFWFLSA-N 2 2 342.443 1.504 20 30 EDEDLP CN(C(=O)c1cc(O)cc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589189605 448985344 /nfs/dbraw/zinc/98/53/44/448985344.db2.gz KPZGFLCFENJQMM-QGZVFWFLSA-N 2 2 342.443 1.504 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1 ZINC000595769344 449156930 /nfs/dbraw/zinc/15/69/30/449156930.db2.gz PQPYEYMTYMAANI-SFHVURJKSA-N 2 2 329.444 1.609 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C1CC1 ZINC000595769344 449156931 /nfs/dbraw/zinc/15/69/31/449156931.db2.gz PQPYEYMTYMAANI-SFHVURJKSA-N 2 2 329.444 1.609 20 30 EDEDLP C[C@]1(C#N)CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000595979499 449295505 /nfs/dbraw/zinc/29/55/05/449295505.db2.gz ARTYGPNJCFYJAV-PKOBYXMFSA-N 2 2 337.427 1.563 20 30 EDEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000593959101 449306126 /nfs/dbraw/zinc/30/61/26/449306126.db2.gz DYONUWAIKGXUEE-GOSISDBHSA-N 2 2 332.496 1.455 20 30 EDEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nn1 ZINC000593959101 449306130 /nfs/dbraw/zinc/30/61/30/449306130.db2.gz DYONUWAIKGXUEE-GOSISDBHSA-N 2 2 332.496 1.455 20 30 EDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCC[NH2+]1 ZINC000662713691 453437881 /nfs/dbraw/zinc/43/78/81/453437881.db2.gz XSOPPAGUSWIUMI-IBGZPJMESA-N 2 2 329.444 1.735 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231257 528692461 /nfs/dbraw/zinc/69/24/61/528692461.db2.gz YCXPJPJFYRXYLX-MSOLQXFVSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231257 528692466 /nfs/dbraw/zinc/69/24/66/528692466.db2.gz YCXPJPJFYRXYLX-MSOLQXFVSA-N 2 2 349.523 1.096 20 30 EDEDLP C[NH+](C)CC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000732569336 578718779 /nfs/dbraw/zinc/71/87/79/578718779.db2.gz LDEKDPKRAVPAPZ-UHFFFAOYSA-N 2 2 339.443 1.694 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC000748816094 579701380 /nfs/dbraw/zinc/70/13/80/579701380.db2.gz CSPIQCWEPTYVQC-UHFFFAOYSA-N 2 2 343.446 1.783 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000769977577 580250308 /nfs/dbraw/zinc/25/03/08/580250308.db2.gz KZUYAALSGMFORN-MRXNPFEDSA-N 2 2 328.460 1.721 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000769977577 580250309 /nfs/dbraw/zinc/25/03/09/580250309.db2.gz KZUYAALSGMFORN-MRXNPFEDSA-N 2 2 328.460 1.721 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000769977575 580250314 /nfs/dbraw/zinc/25/03/14/580250314.db2.gz KZUYAALSGMFORN-INIZCTEOSA-N 2 2 328.460 1.721 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000769977575 580250315 /nfs/dbraw/zinc/25/03/15/580250315.db2.gz KZUYAALSGMFORN-INIZCTEOSA-N 2 2 328.460 1.721 20 30 EDEDLP COCC#CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000775680198 580397055 /nfs/dbraw/zinc/39/70/55/580397055.db2.gz DAECMHIPHREAEG-UHFFFAOYSA-N 2 2 344.459 1.343 20 30 EDEDLP COCC#CCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000775680198 580397056 /nfs/dbraw/zinc/39/70/56/580397056.db2.gz DAECMHIPHREAEG-UHFFFAOYSA-N 2 2 344.459 1.343 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000796608566 580958019 /nfs/dbraw/zinc/95/80/19/580958019.db2.gz CWRHHLHIQNXWSO-HXUWFJFHSA-N 2 2 343.446 1.567 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000796608566 580958020 /nfs/dbraw/zinc/95/80/20/580958020.db2.gz CWRHHLHIQNXWSO-HXUWFJFHSA-N 2 2 343.446 1.567 20 30 EDEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902987553 592094322 /nfs/dbraw/zinc/09/43/22/592094322.db2.gz ODLAAINBIGAANA-HZTRTUMWSA-N 2 2 341.459 1.687 20 30 EDEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902987553 592094325 /nfs/dbraw/zinc/09/43/25/592094325.db2.gz ODLAAINBIGAANA-HZTRTUMWSA-N 2 2 341.459 1.687 20 30 EDEDLP COC(=O)C1C/C(=C/c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901500294 592376483 /nfs/dbraw/zinc/37/64/83/592376483.db2.gz QEPGLZOAPJXQCM-QXFGSWAMSA-N 2 2 340.383 1.773 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000905455498 592540457 /nfs/dbraw/zinc/54/04/57/592540457.db2.gz YQEILIGKFPLOOO-ROUUACIJSA-N 2 2 327.432 1.420 20 30 EDEDLP C=C(CC)C[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819357119 593751781 /nfs/dbraw/zinc/75/17/81/593751781.db2.gz MTTRXBKXYINGGB-SFHVURJKSA-N 2 2 333.476 1.734 20 30 EDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000826052610 594318819 /nfs/dbraw/zinc/31/88/19/594318819.db2.gz OYDAXJIMFUYFMV-HKUYNNGSSA-N 2 2 340.471 1.829 20 30 EDEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000826052610 594318823 /nfs/dbraw/zinc/31/88/23/594318823.db2.gz OYDAXJIMFUYFMV-HKUYNNGSSA-N 2 2 340.471 1.829 20 30 EDEDLP CN(Cc1ccco1)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000842037233 595006746 /nfs/dbraw/zinc/00/67/46/595006746.db2.gz URPOAZCIFLJCBX-UHFFFAOYSA-N 2 2 344.415 1.637 20 30 EDEDLP C#C[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000847326649 595396530 /nfs/dbraw/zinc/39/65/30/595396530.db2.gz DKCHACUHYNKLNS-SFHVURJKSA-N 2 2 346.519 1.992 20 30 EDEDLP C#CCC[N@@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852751789 596237763 /nfs/dbraw/zinc/23/77/63/596237763.db2.gz NCPYMWAYNVJKPF-QGZVFWFLSA-N 2 2 329.444 1.986 20 30 EDEDLP C#CCC[N@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852751789 596237764 /nfs/dbraw/zinc/23/77/64/596237764.db2.gz NCPYMWAYNVJKPF-QGZVFWFLSA-N 2 2 329.444 1.986 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884448645 598108569 /nfs/dbraw/zinc/10/85/69/598108569.db2.gz IYYCRIISZBLDMN-IRXDYDNUSA-N 2 2 345.443 1.071 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884448645 598108571 /nfs/dbraw/zinc/10/85/71/598108571.db2.gz IYYCRIISZBLDMN-IRXDYDNUSA-N 2 2 345.443 1.071 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948057831 695320753 /nfs/dbraw/zinc/32/07/53/695320753.db2.gz ZGVDVUUTEAWDGR-UONOGXRCSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948057831 695320754 /nfs/dbraw/zinc/32/07/54/695320754.db2.gz ZGVDVUUTEAWDGR-UONOGXRCSA-N 2 2 344.297 1.960 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3cccc(CC)c3)C2)CC1 ZINC001031436218 697104586 /nfs/dbraw/zinc/10/45/86/697104586.db2.gz YOKOSYNKDOKHBN-UHFFFAOYSA-N 2 2 339.483 1.895 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939213029 699361913 /nfs/dbraw/zinc/36/19/13/699361913.db2.gz ARDRJZLEOSWNRZ-NHYWBVRUSA-N 2 2 329.429 1.522 20 30 EDEDLP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032447612 703616693 /nfs/dbraw/zinc/61/66/93/703616693.db2.gz RARAIDIBGCLHOE-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032447612 703616694 /nfs/dbraw/zinc/61/66/94/703616694.db2.gz RARAIDIBGCLHOE-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032447612 703616695 /nfs/dbraw/zinc/61/66/95/703616695.db2.gz RARAIDIBGCLHOE-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032447612 703616696 /nfs/dbraw/zinc/61/66/96/703616696.db2.gz RARAIDIBGCLHOE-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997649701 703960543 /nfs/dbraw/zinc/96/05/43/703960543.db2.gz QFWPAJOTBALFMM-BBRMVZONSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997649701 703960546 /nfs/dbraw/zinc/96/05/46/703960546.db2.gz QFWPAJOTBALFMM-BBRMVZONSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050394 705244351 /nfs/dbraw/zinc/24/43/51/705244351.db2.gz HMEAASLAHYKVLS-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050394 705244356 /nfs/dbraw/zinc/24/43/56/705244356.db2.gz HMEAASLAHYKVLS-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998257970 705621860 /nfs/dbraw/zinc/62/18/60/705621860.db2.gz FPRXRUCNMKTOST-NWDGAFQWSA-N 2 2 330.354 1.897 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308054 705719960 /nfs/dbraw/zinc/71/99/60/705719960.db2.gz XRRIGRSRZKGNQB-AAEUAGOBSA-N 2 2 328.338 1.263 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998321895 705742898 /nfs/dbraw/zinc/74/28/98/705742898.db2.gz QYPLUNJNOYRWCT-QWHCGFSZSA-N 2 2 330.354 1.828 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998321893 705743066 /nfs/dbraw/zinc/74/30/66/705743066.db2.gz QYPLUNJNOYRWCT-CHWSQXEVSA-N 2 2 330.354 1.828 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365317 707659255 /nfs/dbraw/zinc/65/92/55/707659255.db2.gz MGJVWGAVDFARTK-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365317 707659259 /nfs/dbraw/zinc/65/92/59/707659259.db2.gz MGJVWGAVDFARTK-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365317 707659261 /nfs/dbraw/zinc/65/92/61/707659261.db2.gz MGJVWGAVDFARTK-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365317 707659266 /nfs/dbraw/zinc/65/92/66/707659266.db2.gz MGJVWGAVDFARTK-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001683030 708180401 /nfs/dbraw/zinc/18/04/01/708180401.db2.gz FGEPFWSIORRDGZ-IBGZPJMESA-N 2 2 349.519 1.892 20 30 EDEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001683030 708180403 /nfs/dbraw/zinc/18/04/03/708180403.db2.gz FGEPFWSIORRDGZ-IBGZPJMESA-N 2 2 349.519 1.892 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553466 708217649 /nfs/dbraw/zinc/21/76/49/708217649.db2.gz CWVHRVLWYXWGOZ-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553466 708217652 /nfs/dbraw/zinc/21/76/52/708217652.db2.gz CWVHRVLWYXWGOZ-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccs3)C2)CC1 ZINC001033688549 708482553 /nfs/dbraw/zinc/48/25/53/708482553.db2.gz RJAIDYISVDFJBR-MRXNPFEDSA-N 2 2 346.500 1.521 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccs3)C2)CC1 ZINC001033688549 708482554 /nfs/dbraw/zinc/48/25/54/708482554.db2.gz RJAIDYISVDFJBR-MRXNPFEDSA-N 2 2 346.500 1.521 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942680 709149913 /nfs/dbraw/zinc/14/99/13/709149913.db2.gz XEOHVVDOQYXXHK-FUHWJXTLSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942680 709149915 /nfs/dbraw/zinc/14/99/15/709149915.db2.gz XEOHVVDOQYXXHK-FUHWJXTLSA-N 2 2 328.460 1.700 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003054988 709892317 /nfs/dbraw/zinc/89/23/17/709892317.db2.gz DHHUYGMLEKUKNH-NRFANRHFSA-N 2 2 349.478 1.716 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003054988 709892321 /nfs/dbraw/zinc/89/23/21/709892321.db2.gz DHHUYGMLEKUKNH-NRFANRHFSA-N 2 2 349.478 1.716 20 30 EDEDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000564085376 306355482 /nfs/dbraw/zinc/35/54/82/306355482.db2.gz QIAVWMOJPZJEEK-UHFFFAOYSA-N 2 2 342.447 1.580 20 30 EDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc[nH+]1 ZINC000342758591 250008912 /nfs/dbraw/zinc/00/89/12/250008912.db2.gz XVOQEROSLVAHFP-UHFFFAOYSA-N 2 2 336.443 1.931 20 30 EDEDLP C=CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000370359675 250205947 /nfs/dbraw/zinc/20/59/47/250205947.db2.gz PEJZBTIQAKMXRK-SJPCQFCGSA-N 2 2 336.480 1.141 20 30 EDEDLP C=CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000370359675 250205950 /nfs/dbraw/zinc/20/59/50/250205950.db2.gz PEJZBTIQAKMXRK-SJPCQFCGSA-N 2 2 336.480 1.141 20 30 EDEDLP Cc1cc(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000424138382 252138824 /nfs/dbraw/zinc/13/88/24/252138824.db2.gz QDDXZVREWXGAOO-OAHLLOKOSA-N 2 2 344.463 1.578 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000490741786 255104833 /nfs/dbraw/zinc/10/48/33/255104833.db2.gz WWQJYCLBCPIBHM-ZDUSSCGKSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000490741786 255104835 /nfs/dbraw/zinc/10/48/35/255104835.db2.gz WWQJYCLBCPIBHM-ZDUSSCGKSA-N 2 2 331.382 1.427 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000089663395 287321855 /nfs/dbraw/zinc/32/18/55/287321855.db2.gz GZSWNCBLZHWPFL-UHFFFAOYSA-N 2 2 349.398 1.871 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000173641759 441812184 /nfs/dbraw/zinc/81/21/84/441812184.db2.gz BFGWVGRSTPCEDY-GOSISDBHSA-N 2 2 342.443 1.364 20 30 EDEDLP COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C#N ZINC000134981671 442544126 /nfs/dbraw/zinc/54/41/26/442544126.db2.gz CDMMRVUDZZQCRZ-UHFFFAOYSA-N 2 2 328.460 1.780 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188210458 442725043 /nfs/dbraw/zinc/72/50/43/442725043.db2.gz LWMJZSJWMORZGU-UHFFFAOYSA-N 2 2 325.416 1.425 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000265737209 442901073 /nfs/dbraw/zinc/90/10/73/442901073.db2.gz BHZCGNXLDNMIBV-SFHVURJKSA-N 2 2 326.444 1.592 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000265737209 442901077 /nfs/dbraw/zinc/90/10/77/442901077.db2.gz BHZCGNXLDNMIBV-SFHVURJKSA-N 2 2 326.444 1.592 20 30 EDEDLP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000268447885 442993260 /nfs/dbraw/zinc/99/32/60/442993260.db2.gz OKSHIIJPYPAQAJ-GOSISDBHSA-N 2 2 328.460 1.789 20 30 EDEDLP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262021376 443180393 /nfs/dbraw/zinc/18/03/93/443180393.db2.gz YVSWDSJUMQKABF-MPGHIAIKSA-N 2 2 345.447 1.842 20 30 EDEDLP C=CC[N@@H+](CCOC)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000191074887 443235896 /nfs/dbraw/zinc/23/58/96/443235896.db2.gz ANWLDAWZRLGMMF-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP C=CC[N@H+](CCOC)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000191074887 443235897 /nfs/dbraw/zinc/23/58/97/443235897.db2.gz ANWLDAWZRLGMMF-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000191074887 443235899 /nfs/dbraw/zinc/23/58/99/443235899.db2.gz ANWLDAWZRLGMMF-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000191074887 443235900 /nfs/dbraw/zinc/23/59/00/443235900.db2.gz ANWLDAWZRLGMMF-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264132738 443251891 /nfs/dbraw/zinc/25/18/91/443251891.db2.gz YKNXHKYQVYVCQH-HNNXBMFYSA-N 2 2 333.480 1.520 20 30 EDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](O)C[NH+]1CCOCC1 ZINC000264150956 443253135 /nfs/dbraw/zinc/25/31/35/443253135.db2.gz ZDCJXTGPWHPIAQ-MRXNPFEDSA-N 2 2 334.464 1.231 20 30 EDEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000269970826 443457495 /nfs/dbraw/zinc/45/74/95/443457495.db2.gz OGHCTDGUZDGQFI-UHFFFAOYSA-N 2 2 347.463 1.800 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000301625655 444182863 /nfs/dbraw/zinc/18/28/63/444182863.db2.gz HEFRYMSRFLUYNR-UHFFFAOYSA-N 2 2 344.419 1.832 20 30 EDEDLP CC(C)(CNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000329838208 444736098 /nfs/dbraw/zinc/73/60/98/444736098.db2.gz NEAUOQYJOJDMHV-UHFFFAOYSA-N 3 2 349.479 1.656 20 30 EDEDLP CC(C)(CNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCOCC1 ZINC000329838208 444736103 /nfs/dbraw/zinc/73/61/03/444736103.db2.gz NEAUOQYJOJDMHV-UHFFFAOYSA-N 2 2 349.479 1.656 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000330173521 444872408 /nfs/dbraw/zinc/87/24/08/444872408.db2.gz HKCJCRDDQKATCQ-UHFFFAOYSA-N 2 2 332.473 1.908 20 30 EDEDLP C=C(C)[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OCC ZINC000339359005 445133556 /nfs/dbraw/zinc/13/35/56/445133556.db2.gz BNJWCGVCRRLVEW-KRWDZBQOSA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OCC ZINC000339359005 445133561 /nfs/dbraw/zinc/13/35/61/445133561.db2.gz BNJWCGVCRRLVEW-KRWDZBQOSA-N 2 2 325.497 1.842 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961917 445202418 /nfs/dbraw/zinc/20/24/18/445202418.db2.gz BUNOVJFXMXNKOG-MSOLQXFVSA-N 2 2 341.459 1.846 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961917 445202421 /nfs/dbraw/zinc/20/24/21/445202421.db2.gz BUNOVJFXMXNKOG-MSOLQXFVSA-N 2 2 341.459 1.846 20 30 EDEDLP CCn1cc[nH+]c1CN1CCC[N@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000363107862 445680503 /nfs/dbraw/zinc/68/05/03/445680503.db2.gz NRJRXJBVQAZZRE-UHFFFAOYSA-N 2 2 346.479 1.173 20 30 EDEDLP CCn1cc[nH+]c1CN1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000363107862 445680505 /nfs/dbraw/zinc/68/05/05/445680505.db2.gz NRJRXJBVQAZZRE-UHFFFAOYSA-N 2 2 346.479 1.173 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363180992 445709613 /nfs/dbraw/zinc/70/96/13/445709613.db2.gz PFCJEQRWSQAXJS-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363180992 445709622 /nfs/dbraw/zinc/70/96/22/445709622.db2.gz PFCJEQRWSQAXJS-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363180992 445709623 /nfs/dbraw/zinc/70/96/23/445709623.db2.gz PFCJEQRWSQAXJS-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363180992 445709624 /nfs/dbraw/zinc/70/96/24/445709624.db2.gz PFCJEQRWSQAXJS-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP C=CCC[C@H](O)C[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000364948454 445970129 /nfs/dbraw/zinc/97/01/29/445970129.db2.gz XXJDWCKIDANGNR-KRWDZBQOSA-N 2 2 332.492 1.973 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000354203838 445997258 /nfs/dbraw/zinc/99/72/58/445997258.db2.gz CKTMRWDYHPBJTI-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000354203838 445997267 /nfs/dbraw/zinc/99/72/67/445997267.db2.gz CKTMRWDYHPBJTI-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000354203838 445997273 /nfs/dbraw/zinc/99/72/73/445997273.db2.gz CKTMRWDYHPBJTI-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000354203838 445997277 /nfs/dbraw/zinc/99/72/77/445997277.db2.gz CKTMRWDYHPBJTI-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583265948 326038599 /nfs/dbraw/zinc/03/85/99/326038599.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 2 345.447 1.924 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583265948 326038603 /nfs/dbraw/zinc/03/86/03/326038603.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 2 345.447 1.924 20 30 EDEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000583265948 326038604 /nfs/dbraw/zinc/03/86/04/326038604.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 2 345.447 1.924 20 30 EDEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000583265948 326038607 /nfs/dbraw/zinc/03/86/07/326038607.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 2 345.447 1.924 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113918 326202646 /nfs/dbraw/zinc/20/26/46/326202646.db2.gz PPZCEELVPVCSDF-IKGGRYGDSA-N 2 2 340.431 1.284 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113918 326202648 /nfs/dbraw/zinc/20/26/48/326202648.db2.gz PPZCEELVPVCSDF-IKGGRYGDSA-N 2 2 340.431 1.284 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179387 446676583 /nfs/dbraw/zinc/67/65/83/446676583.db2.gz XDPRWJLOFDZXCY-JKSUJKDBSA-N 2 2 336.480 1.585 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179387 446676590 /nfs/dbraw/zinc/67/65/90/446676590.db2.gz XDPRWJLOFDZXCY-JKSUJKDBSA-N 2 2 336.480 1.585 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371266958 446726491 /nfs/dbraw/zinc/72/64/91/446726491.db2.gz SZONQETWOMPTPF-HKUYNNGSSA-N 2 2 349.523 1.000 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371266958 446726500 /nfs/dbraw/zinc/72/65/00/446726500.db2.gz SZONQETWOMPTPF-HKUYNNGSSA-N 2 2 349.523 1.000 20 30 EDEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000424766413 446931812 /nfs/dbraw/zinc/93/18/12/446931812.db2.gz PNXNDJREBCTXCP-KRWDZBQOSA-N 2 2 349.519 1.986 20 30 EDEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000424766413 446931816 /nfs/dbraw/zinc/93/18/16/446931816.db2.gz PNXNDJREBCTXCP-KRWDZBQOSA-N 2 2 349.519 1.986 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)CC1 ZINC000558750225 448202593 /nfs/dbraw/zinc/20/25/93/448202593.db2.gz CCCWMVOIRGQWDT-KRWDZBQOSA-N 2 2 339.443 1.607 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CCN(CC#N)CC3)c2cc1C ZINC000591736381 448477719 /nfs/dbraw/zinc/47/77/19/448477719.db2.gz QHAOPODRSKBWED-QGZVFWFLSA-N 2 2 341.459 1.592 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000572993596 448517281 /nfs/dbraw/zinc/51/72/81/448517281.db2.gz HEAOWHSOSVHFJX-CQSZACIVSA-N 2 2 330.413 1.133 20 30 EDEDLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000579582331 448826193 /nfs/dbraw/zinc/82/61/93/448826193.db2.gz WEYKJTHNMSEGPY-UHFFFAOYSA-N 2 2 336.461 1.189 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590241922 449119430 /nfs/dbraw/zinc/11/94/30/449119430.db2.gz GESFRESOXGLNQM-QGZVFWFLSA-N 2 2 341.459 1.502 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590241922 449119433 /nfs/dbraw/zinc/11/94/33/449119433.db2.gz GESFRESOXGLNQM-QGZVFWFLSA-N 2 2 341.459 1.502 20 30 EDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989888 449175077 /nfs/dbraw/zinc/17/50/77/449175077.db2.gz MEQVCNSEQONCRP-OAHLLOKOSA-N 2 2 332.448 1.325 20 30 EDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989888 449175085 /nfs/dbraw/zinc/17/50/85/449175085.db2.gz MEQVCNSEQONCRP-OAHLLOKOSA-N 2 2 332.448 1.325 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533560 449325852 /nfs/dbraw/zinc/32/58/52/449325852.db2.gz NTTPNGLGBSKUEF-YJBOKZPZSA-N 2 2 329.448 1.647 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1C#N ZINC000596046789 449334794 /nfs/dbraw/zinc/33/47/94/449334794.db2.gz MRILRWWHZDPFBY-PBHICJAKSA-N 2 2 342.443 1.728 20 30 EDEDLP CC(C)(C#N)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000598990192 449682844 /nfs/dbraw/zinc/68/28/44/449682844.db2.gz JZKHFRSXQJVSHK-KRWDZBQOSA-N 2 2 328.460 1.917 20 30 EDEDLP CC(C)(C#N)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000598990192 449682846 /nfs/dbraw/zinc/68/28/46/449682846.db2.gz JZKHFRSXQJVSHK-KRWDZBQOSA-N 2 2 328.460 1.917 20 30 EDEDLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ncc1C#N ZINC000603117105 450079236 /nfs/dbraw/zinc/07/92/36/450079236.db2.gz CTDZLZASNXLQBT-UHFFFAOYSA-N 2 2 344.463 1.751 20 30 EDEDLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ncc1C#N ZINC000603117105 450079244 /nfs/dbraw/zinc/07/92/44/450079244.db2.gz CTDZLZASNXLQBT-UHFFFAOYSA-N 2 2 344.463 1.751 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809591 450342731 /nfs/dbraw/zinc/34/27/31/450342731.db2.gz HASFYITUYVEKAD-KDOFPFPSSA-N 2 2 325.460 1.994 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809591 450342737 /nfs/dbraw/zinc/34/27/37/450342737.db2.gz HASFYITUYVEKAD-KDOFPFPSSA-N 2 2 325.460 1.994 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638099446 451265909 /nfs/dbraw/zinc/26/59/09/451265909.db2.gz INJWUJLBVYUOTC-GOSISDBHSA-N 2 2 330.476 1.212 20 30 EDEDLP C=CCCn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000653562064 452017499 /nfs/dbraw/zinc/01/74/99/452017499.db2.gz BLKSEJNOTYDVIF-UHFFFAOYSA-N 2 2 333.480 1.931 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000123849902 526926520 /nfs/dbraw/zinc/92/65/20/526926520.db2.gz LLMJDLHCLGFIKM-UHFFFAOYSA-N 2 2 337.427 1.537 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000730284389 578639537 /nfs/dbraw/zinc/63/95/37/578639537.db2.gz OUWRFHQTOPNTAQ-GJZGRUSLSA-N 2 2 328.460 1.709 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000730284389 578639538 /nfs/dbraw/zinc/63/95/38/578639538.db2.gz OUWRFHQTOPNTAQ-GJZGRUSLSA-N 2 2 328.460 1.709 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000748818783 579701972 /nfs/dbraw/zinc/70/19/72/579701972.db2.gz YNDMKBYJXMKDPQ-FUHWJXTLSA-N 2 2 343.446 1.781 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000748818783 579701973 /nfs/dbraw/zinc/70/19/73/579701973.db2.gz YNDMKBYJXMKDPQ-FUHWJXTLSA-N 2 2 343.446 1.781 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000748818395 579701997 /nfs/dbraw/zinc/70/19/97/579701997.db2.gz VCAZYQBSHJSRAW-GOSISDBHSA-N 2 2 343.446 1.468 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000748818395 579701998 /nfs/dbraw/zinc/70/19/98/579701998.db2.gz VCAZYQBSHJSRAW-GOSISDBHSA-N 2 2 343.446 1.468 20 30 EDEDLP C#C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000796009302 580943423 /nfs/dbraw/zinc/94/34/23/580943423.db2.gz CCTFEDWDSXCQRT-VQTJNVASSA-N 2 2 327.472 1.969 20 30 EDEDLP C#C[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892522200 591057625 /nfs/dbraw/zinc/05/76/25/591057625.db2.gz SXVXIJKMHRTDFI-KRWDZBQOSA-N 2 2 332.492 1.742 20 30 EDEDLP NC(=[NH+]OCc1cnsn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227530 591949858 /nfs/dbraw/zinc/94/98/58/591949858.db2.gz YZLSGDJITXWSLD-UHFFFAOYSA-N 2 2 333.417 1.207 20 30 EDEDLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902769464 592059945 /nfs/dbraw/zinc/05/99/45/592059945.db2.gz YYRFLIDYAXQZAP-OAHLLOKOSA-N 2 2 336.443 1.951 20 30 EDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787094 592063828 /nfs/dbraw/zinc/06/38/28/592063828.db2.gz XFUMSLOZJVFRLA-WMLDXEAASA-N 2 2 329.448 1.547 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCCCC[NH3+])CC2)cc1 ZINC000831252459 594592258 /nfs/dbraw/zinc/59/22/58/594592258.db2.gz JMKUVBXUBAZDNR-UHFFFAOYSA-N 2 2 343.475 1.905 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000841016346 594839846 /nfs/dbraw/zinc/83/98/46/594839846.db2.gz HXJYEQZNDZLWFD-DGCLKSJQSA-N 2 2 334.449 1.362 20 30 EDEDLP C[C@H](c1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1)[NH+]1CCOCC1 ZINC000841106386 594851641 /nfs/dbraw/zinc/85/16/41/594851641.db2.gz GWNZHNBOVIAGLU-FRFSOERESA-N 2 2 343.431 1.313 20 30 EDEDLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000844526540 595354876 /nfs/dbraw/zinc/35/48/76/595354876.db2.gz HHAKTGQPFIFXKM-BLRBJFNZSA-N 2 2 344.459 1.600 20 30 EDEDLP Nc1nc(Cl)c(C=[NH+]NCCCn2cc[nH+]c2)c(N2CCCC2)n1 ZINC000848419059 595376203 /nfs/dbraw/zinc/37/62/03/595376203.db2.gz QHRNEXKGQPAJMM-UHFFFAOYSA-N 2 2 348.842 1.523 20 30 EDEDLP COC(=O)CCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000844763859 595392378 /nfs/dbraw/zinc/39/23/78/595392378.db2.gz QKTXLQCTIZESMH-UHFFFAOYSA-N 2 2 335.404 1.109 20 30 EDEDLP CN1CC[NH+]=C1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000849049095 595475379 /nfs/dbraw/zinc/47/53/79/595475379.db2.gz DJRGMNVRGGEJFW-UHFFFAOYSA-N 2 2 329.492 1.475 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876280877 597160030 /nfs/dbraw/zinc/16/00/30/597160030.db2.gz OJLFKEWLVAJPCT-GOSISDBHSA-N 2 2 343.475 1.208 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876280877 597160031 /nfs/dbraw/zinc/16/00/31/597160031.db2.gz OJLFKEWLVAJPCT-GOSISDBHSA-N 2 2 343.475 1.208 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000884189969 598020880 /nfs/dbraw/zinc/02/08/80/598020880.db2.gz RDBHXOFFOWEVCH-HNNXBMFYSA-N 2 2 325.453 1.013 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000884219105 598033082 /nfs/dbraw/zinc/03/30/82/598033082.db2.gz IHTZVCYDLXGVLM-GJZGRUSLSA-N 2 2 339.480 1.450 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000884219105 598033086 /nfs/dbraw/zinc/03/30/86/598033086.db2.gz IHTZVCYDLXGVLM-GJZGRUSLSA-N 2 2 339.480 1.450 20 30 EDEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031677718 697495898 /nfs/dbraw/zinc/49/58/98/697495898.db2.gz WBFCDRHEPYETME-NVXWUHKLSA-N 2 2 328.460 1.778 20 30 EDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC001031775568 699159177 /nfs/dbraw/zinc/15/91/77/699159177.db2.gz HEMNEDCLPHCIGI-SFHVURJKSA-N 2 2 349.438 1.565 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000939533817 699671626 /nfs/dbraw/zinc/67/16/26/699671626.db2.gz FPNARNQOYRDHKI-KDOFPFPSSA-N 2 2 337.427 1.471 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846648 700941864 /nfs/dbraw/zinc/94/18/64/700941864.db2.gz FBSKHFZWOWYYQZ-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846648 700941866 /nfs/dbraw/zinc/94/18/66/700941866.db2.gz FBSKHFZWOWYYQZ-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850640 700943734 /nfs/dbraw/zinc/94/37/34/700943734.db2.gz JXTCVQKQMQHKKU-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850640 700943735 /nfs/dbraw/zinc/94/37/35/700943735.db2.gz JXTCVQKQMQHKKU-HOTGVXAUSA-N 2 2 328.460 1.686 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806323 701196190 /nfs/dbraw/zinc/19/61/90/701196190.db2.gz CORARGJWUYJLJW-MAUKXSAKSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806323 701196192 /nfs/dbraw/zinc/19/61/92/701196192.db2.gz CORARGJWUYJLJW-MAUKXSAKSA-N 2 2 337.427 1.782 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996463416 702790944 /nfs/dbraw/zinc/79/09/44/702790944.db2.gz WNLOHLDERNSIRQ-CQSZACIVSA-N 2 2 343.456 1.912 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996688423 702985730 /nfs/dbraw/zinc/98/57/30/702985730.db2.gz BXMPEUHNQJDZGY-BBRMVZONSA-N 2 2 345.447 1.117 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996688423 702985732 /nfs/dbraw/zinc/98/57/32/702985732.db2.gz BXMPEUHNQJDZGY-BBRMVZONSA-N 2 2 345.447 1.117 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996713524 703008563 /nfs/dbraw/zinc/00/85/63/703008563.db2.gz JLZMTLCORAMPLO-GFCCVEGCSA-N 2 2 341.253 1.618 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000997181325 703465446 /nfs/dbraw/zinc/46/54/46/703465446.db2.gz ZEBVIAXMUIQEIL-UHFFFAOYSA-N 2 2 337.427 1.615 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840285 708871698 /nfs/dbraw/zinc/87/16/98/708871698.db2.gz ZTSTUIFSTYKRFT-RHSMWYFYSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840285 708871699 /nfs/dbraw/zinc/87/16/99/708871699.db2.gz ZTSTUIFSTYKRFT-RHSMWYFYSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033840285 708871706 /nfs/dbraw/zinc/87/17/06/708871706.db2.gz ZTSTUIFSTYKRFT-RHSMWYFYSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033840285 708871708 /nfs/dbraw/zinc/87/17/08/708871708.db2.gz ZTSTUIFSTYKRFT-RHSMWYFYSA-N 2 2 329.448 1.346 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034270491 709676071 /nfs/dbraw/zinc/67/60/71/709676071.db2.gz BLPGLXQTLXUPCP-RBSFLKMASA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034270491 709676072 /nfs/dbraw/zinc/67/60/72/709676072.db2.gz BLPGLXQTLXUPCP-RBSFLKMASA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034270491 709676073 /nfs/dbraw/zinc/67/60/73/709676073.db2.gz BLPGLXQTLXUPCP-RBSFLKMASA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034270491 709676074 /nfs/dbraw/zinc/67/60/74/709676074.db2.gz BLPGLXQTLXUPCP-RBSFLKMASA-N 2 2 329.872 1.429 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279051 709694553 /nfs/dbraw/zinc/69/45/53/709694553.db2.gz OSOHJPOAYAKCAV-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279051 709694559 /nfs/dbraw/zinc/69/45/59/709694559.db2.gz OSOHJPOAYAKCAV-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001032837182 710187615 /nfs/dbraw/zinc/18/76/15/710187615.db2.gz YWTGRZZHCPWLHI-SQNIBIBYSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC001032837182 710187619 /nfs/dbraw/zinc/18/76/19/710187619.db2.gz YWTGRZZHCPWLHI-SQNIBIBYSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC001032837182 710187622 /nfs/dbraw/zinc/18/76/22/710187622.db2.gz YWTGRZZHCPWLHI-SQNIBIBYSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC001032837182 710187626 /nfs/dbraw/zinc/18/76/26/710187626.db2.gz YWTGRZZHCPWLHI-SQNIBIBYSA-N 2 2 333.476 1.090 20 30 EDEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004519883 711934923 /nfs/dbraw/zinc/93/49/23/711934923.db2.gz FVVDZUVBPGZYOO-MSOLQXFVSA-N 2 2 348.491 1.322 20 30 EDEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004519883 711934925 /nfs/dbraw/zinc/93/49/25/711934925.db2.gz FVVDZUVBPGZYOO-MSOLQXFVSA-N 2 2 348.491 1.322 20 30 EDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004519883 711934926 /nfs/dbraw/zinc/93/49/26/711934926.db2.gz FVVDZUVBPGZYOO-MSOLQXFVSA-N 2 2 348.491 1.322 20 30 EDEDLP CC(C)[NH+]1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004519883 711934928 /nfs/dbraw/zinc/93/49/28/711934928.db2.gz FVVDZUVBPGZYOO-MSOLQXFVSA-N 2 2 348.491 1.322 20 30 EDEDLP C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329267476 539423604 /nfs/dbraw/zinc/42/36/04/539423604.db2.gz HSUQKDGBQPXXHP-UONOGXRCSA-N 2 2 349.479 1.330 20 30 EDEDLP C[N@H+]1CCO[C@H](C[NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329267476 539423608 /nfs/dbraw/zinc/42/36/08/539423608.db2.gz HSUQKDGBQPXXHP-UONOGXRCSA-N 2 2 349.479 1.330 20 30 EDEDLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C[C@]2(CCOC2)O1 ZINC000330151804 539501907 /nfs/dbraw/zinc/50/19/07/539501907.db2.gz LOWAFSKHJYRCJM-AEFFLSMTSA-N 2 2 339.480 1.697 20 30 EDEDLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C[C@]2(CCOC2)O1 ZINC000330151804 539501908 /nfs/dbraw/zinc/50/19/08/539501908.db2.gz LOWAFSKHJYRCJM-AEFFLSMTSA-N 2 2 339.480 1.697 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000424144621 252141741 /nfs/dbraw/zinc/14/17/41/252141741.db2.gz XPXWZJKCVVIPHG-KRWDZBQOSA-N 2 2 330.432 1.231 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000490740314 255104385 /nfs/dbraw/zinc/10/43/85/255104385.db2.gz OFFVMJJEFIGCRT-HNNXBMFYSA-N 2 2 325.412 1.861 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491682677 255140881 /nfs/dbraw/zinc/14/08/81/255140881.db2.gz UBTDYJTXWMVBLG-HZPDHXFCSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491682677 255140883 /nfs/dbraw/zinc/14/08/83/255140883.db2.gz UBTDYJTXWMVBLG-HZPDHXFCSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491682677 255140885 /nfs/dbraw/zinc/14/08/85/255140885.db2.gz UBTDYJTXWMVBLG-HZPDHXFCSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491682677 255140886 /nfs/dbraw/zinc/14/08/86/255140886.db2.gz UBTDYJTXWMVBLG-HZPDHXFCSA-N 2 2 333.501 1.948 20 30 EDEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000345998000 143155640 /nfs/dbraw/zinc/15/56/40/143155640.db2.gz QQMKMNFSWWOWNB-UHFFFAOYSA-N 2 2 328.460 1.981 20 30 EDEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000345998000 143155641 /nfs/dbraw/zinc/15/56/41/143155641.db2.gz QQMKMNFSWWOWNB-UHFFFAOYSA-N 2 2 328.460 1.981 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122814745 222164091 /nfs/dbraw/zinc/16/40/91/222164091.db2.gz IDFFDONVOZJLHN-UHFFFAOYSA-N 2 2 328.460 1.965 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122814745 222164093 /nfs/dbraw/zinc/16/40/93/222164093.db2.gz IDFFDONVOZJLHN-UHFFFAOYSA-N 2 2 328.460 1.965 20 30 EDEDLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418683390 269832790 /nfs/dbraw/zinc/83/27/90/269832790.db2.gz BBDRVIJPEKSCPN-HNNXBMFYSA-N 2 2 329.448 1.513 20 30 EDEDLP C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000282547349 267051793 /nfs/dbraw/zinc/05/17/93/267051793.db2.gz COPSVHIVQYJHOK-QGZVFWFLSA-N 2 2 328.460 1.397 20 30 EDEDLP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000282547349 267051796 /nfs/dbraw/zinc/05/17/96/267051796.db2.gz COPSVHIVQYJHOK-QGZVFWFLSA-N 2 2 328.460 1.397 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051924656 441428776 /nfs/dbraw/zinc/42/87/76/441428776.db2.gz DKVFPNLMQNQKDC-GOSISDBHSA-N 2 2 329.444 1.858 20 30 EDEDLP C[NH+]1CCC(C#N)(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000068432417 441797335 /nfs/dbraw/zinc/79/73/35/441797335.db2.gz PELSZOYGCHTPGM-QPJJXVBHSA-N 2 2 335.411 1.990 20 30 EDEDLP CN1CC[C@@H](O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)C1=O ZINC000116267750 441805835 /nfs/dbraw/zinc/80/58/35/441805835.db2.gz GOKQOVHHIBLHEJ-MRXNPFEDSA-N 2 2 330.432 1.540 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000162783715 442122359 /nfs/dbraw/zinc/12/23/59/442122359.db2.gz HBJGCZYZAGMNQG-GOSISDBHSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000162783715 442122364 /nfs/dbraw/zinc/12/23/64/442122364.db2.gz HBJGCZYZAGMNQG-GOSISDBHSA-N 2 2 342.443 1.175 20 30 EDEDLP Cn1cc(C#N)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175911734 442145043 /nfs/dbraw/zinc/14/50/43/442145043.db2.gz CMNHOCYAEBFULS-UHFFFAOYSA-N 2 2 329.448 1.185 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1sccc1C#N ZINC000126403392 442107924 /nfs/dbraw/zinc/10/79/24/442107924.db2.gz LHJZJTNQOWMYEM-UHFFFAOYSA-N 2 2 349.504 1.516 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1sccc1C#N ZINC000126403392 442107929 /nfs/dbraw/zinc/10/79/29/442107929.db2.gz LHJZJTNQOWMYEM-UHFFFAOYSA-N 2 2 349.504 1.516 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000155469186 442400773 /nfs/dbraw/zinc/40/07/73/442400773.db2.gz FRFZKGFSWOYWSL-KRWDZBQOSA-N 2 2 326.444 1.512 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@H]1CCOC1 ZINC000262694119 443208522 /nfs/dbraw/zinc/20/85/22/443208522.db2.gz DCCDAEHGXRRZJB-CQSZACIVSA-N 2 2 328.420 1.277 20 30 EDEDLP CCN(C)C(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000273421744 443571631 /nfs/dbraw/zinc/57/16/31/443571631.db2.gz HNPVKGXOBYJOPX-UHFFFAOYSA-N 2 2 332.448 1.788 20 30 EDEDLP C[C@@H]1C[N@@H+](CCN(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000329749734 444700698 /nfs/dbraw/zinc/70/06/98/444700698.db2.gz UNESQKIMKDOQHU-MJBXVCDLSA-N 2 2 335.452 1.222 20 30 EDEDLP C[C@@H]1C[N@H+](CCN(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000329749734 444700701 /nfs/dbraw/zinc/70/07/01/444700701.db2.gz UNESQKIMKDOQHU-MJBXVCDLSA-N 2 2 335.452 1.222 20 30 EDEDLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)CC1 ZINC000329708500 444687625 /nfs/dbraw/zinc/68/76/25/444687625.db2.gz LBZBXEKPKCKSJZ-UHFFFAOYSA-N 2 2 348.495 1.325 20 30 EDEDLP CCN1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329983937 444799214 /nfs/dbraw/zinc/79/92/14/444799214.db2.gz BQZMCHWNHYMGFH-INIZCTEOSA-N 2 2 346.479 1.629 20 30 EDEDLP CC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330516752 445014595 /nfs/dbraw/zinc/01/45/95/445014595.db2.gz MISREDLVXWFKKG-UHFFFAOYSA-N 2 2 333.358 1.933 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000359852293 445460362 /nfs/dbraw/zinc/46/03/62/445460362.db2.gz YRXTURSEUAMOGW-UHFFFAOYSA-N 2 2 348.466 1.177 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000359852293 445460366 /nfs/dbraw/zinc/46/03/66/445460366.db2.gz YRXTURSEUAMOGW-UHFFFAOYSA-N 2 2 348.466 1.177 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449985 445607476 /nfs/dbraw/zinc/60/74/76/445607476.db2.gz PCNKLPZACSUQQN-APWZRJJASA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353449985 445607479 /nfs/dbraw/zinc/60/74/79/445607479.db2.gz PCNKLPZACSUQQN-APWZRJJASA-N 2 2 337.508 1.842 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000361019606 445745367 /nfs/dbraw/zinc/74/53/67/445745367.db2.gz VGNNRGDSWOTRJE-KRWDZBQOSA-N 3 2 349.523 1.105 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000361019606 445745371 /nfs/dbraw/zinc/74/53/71/445745371.db2.gz VGNNRGDSWOTRJE-KRWDZBQOSA-N 3 2 349.523 1.105 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434199500 446628968 /nfs/dbraw/zinc/62/89/68/446628968.db2.gz SESBFQNHPWUEFQ-MRXNPFEDSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000424660501 446922211 /nfs/dbraw/zinc/92/22/11/446922211.db2.gz UQBBQPLDYLHGSP-UHFFFAOYSA-N 2 2 337.508 1.844 20 30 EDEDLP C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000424660501 446922214 /nfs/dbraw/zinc/92/22/14/446922214.db2.gz UQBBQPLDYLHGSP-UHFFFAOYSA-N 2 2 337.508 1.844 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000375672543 446967095 /nfs/dbraw/zinc/96/70/95/446967095.db2.gz BIUIXVDDSLYKDR-UHFFFAOYSA-N 2 2 335.492 1.481 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000375672543 446967100 /nfs/dbraw/zinc/96/71/00/446967100.db2.gz BIUIXVDDSLYKDR-UHFFFAOYSA-N 2 2 335.492 1.481 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375817849 447077422 /nfs/dbraw/zinc/07/74/22/447077422.db2.gz VHEMLWWSGUZGTH-QZTJIDSGSA-N 2 2 334.508 1.145 20 30 EDEDLP C#CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000490892897 447905082 /nfs/dbraw/zinc/90/50/82/447905082.db2.gz PDXKIFYSDBPGMG-UHFFFAOYSA-N 2 2 334.508 1.990 20 30 EDEDLP C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497206006 447958286 /nfs/dbraw/zinc/95/82/86/447958286.db2.gz AFITWENAIHREEC-IBGZPJMESA-N 2 2 340.427 1.864 20 30 EDEDLP C[N@H+](Cc1cccc(C#N)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497206006 447958294 /nfs/dbraw/zinc/95/82/94/447958294.db2.gz AFITWENAIHREEC-IBGZPJMESA-N 2 2 340.427 1.864 20 30 EDEDLP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000556927475 448171892 /nfs/dbraw/zinc/17/18/92/448171892.db2.gz QTGAZWBEQNLWFN-DLBZAZTESA-N 2 2 325.416 1.501 20 30 EDEDLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4ccc(C#N)cn34)[C@H]2C1 ZINC000556927475 448171897 /nfs/dbraw/zinc/17/18/97/448171897.db2.gz QTGAZWBEQNLWFN-DLBZAZTESA-N 2 2 325.416 1.501 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000578350045 448524721 /nfs/dbraw/zinc/52/47/21/448524721.db2.gz CCSANHDWXZCANL-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000578350045 448524727 /nfs/dbraw/zinc/52/47/27/448524727.db2.gz CCSANHDWXZCANL-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855007 448897977 /nfs/dbraw/zinc/89/79/77/448897977.db2.gz RLSXIBKOXYVMKJ-CRAIPNDOSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855007 448897985 /nfs/dbraw/zinc/89/79/85/448897985.db2.gz RLSXIBKOXYVMKJ-CRAIPNDOSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855007 448897991 /nfs/dbraw/zinc/89/79/91/448897991.db2.gz RLSXIBKOXYVMKJ-CRAIPNDOSA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855007 448897996 /nfs/dbraw/zinc/89/79/96/448897996.db2.gz RLSXIBKOXYVMKJ-CRAIPNDOSA-N 2 2 344.463 1.524 20 30 EDEDLP CCN1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000593689800 449148691 /nfs/dbraw/zinc/14/86/91/449148691.db2.gz RRRFTBOMFCIQNG-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCCC1 ZINC000593427563 449279929 /nfs/dbraw/zinc/27/99/29/449279929.db2.gz ONGMZQBANUDXAO-UHFFFAOYSA-N 2 2 335.496 1.738 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCCC1 ZINC000593427563 449279934 /nfs/dbraw/zinc/27/99/34/449279934.db2.gz ONGMZQBANUDXAO-UHFFFAOYSA-N 2 2 335.496 1.738 20 30 EDEDLP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[nH+]1 ZINC000602088927 449335307 /nfs/dbraw/zinc/33/53/07/449335307.db2.gz SQNUCBWTHVBBCB-UHFFFAOYSA-N 2 2 339.443 1.977 20 30 EDEDLP C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000599332287 449898674 /nfs/dbraw/zinc/89/86/74/449898674.db2.gz RRZLXIQYZGHTTF-IKGGRYGDSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000599332287 449898679 /nfs/dbraw/zinc/89/86/79/449898679.db2.gz RRZLXIQYZGHTTF-IKGGRYGDSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000599332286 449898986 /nfs/dbraw/zinc/89/89/86/449898986.db2.gz RRZLXIQYZGHTTF-BRWVUGGUSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000599332286 449898993 /nfs/dbraw/zinc/89/89/93/449898993.db2.gz RRZLXIQYZGHTTF-BRWVUGGUSA-N 2 2 332.448 1.837 20 30 EDEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000602892751 449900885 /nfs/dbraw/zinc/90/08/85/449900885.db2.gz SMHSOLHYIYVXPX-INIZCTEOSA-N 2 2 336.461 1.337 20 30 EDEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000602892751 449900891 /nfs/dbraw/zinc/90/08/91/449900891.db2.gz SMHSOLHYIYVXPX-INIZCTEOSA-N 2 2 336.461 1.337 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000636575178 451316195 /nfs/dbraw/zinc/31/61/95/451316195.db2.gz WQMBYOZEXIVTRP-WBVHZDCISA-N 2 2 331.464 1.806 20 30 EDEDLP C=CCOCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000666523595 452938825 /nfs/dbraw/zinc/93/88/25/452938825.db2.gz WGMXMDIGOLRMBC-UHFFFAOYSA-N 2 2 326.485 1.247 20 30 EDEDLP C=CCOCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000666523595 452938829 /nfs/dbraw/zinc/93/88/29/452938829.db2.gz WGMXMDIGOLRMBC-UHFFFAOYSA-N 2 2 326.485 1.247 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660596560 453440109 /nfs/dbraw/zinc/44/01/09/453440109.db2.gz FKIGHQKZBMRVOK-QGZVFWFLSA-N 2 2 336.480 1.143 20 30 EDEDLP COCC#CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478214 487095673 /nfs/dbraw/zinc/09/56/73/487095673.db2.gz RONPNJUNTIWDGE-IBGZPJMESA-N 2 2 342.487 1.565 20 30 EDEDLP COCC#CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478214 487095679 /nfs/dbraw/zinc/09/56/79/487095679.db2.gz RONPNJUNTIWDGE-IBGZPJMESA-N 2 2 342.487 1.565 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000110943776 526920372 /nfs/dbraw/zinc/92/03/72/526920372.db2.gz WHFLXQGXJDHNDK-UHFFFAOYSA-N 2 2 346.500 1.441 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160049507 527015396 /nfs/dbraw/zinc/01/53/96/527015396.db2.gz HDILQHPPQVPGMX-MRXNPFEDSA-N 2 2 328.460 1.758 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160049507 527015402 /nfs/dbraw/zinc/01/54/02/527015402.db2.gz HDILQHPPQVPGMX-MRXNPFEDSA-N 2 2 328.460 1.758 20 30 EDEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cn2)CC1 ZINC000352827294 536420786 /nfs/dbraw/zinc/42/07/86/536420786.db2.gz YEUUQKBRRZEFKK-UHFFFAOYSA-N 2 2 328.445 1.451 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000748810131 579700776 /nfs/dbraw/zinc/70/07/76/579700776.db2.gz QQWUEVVWDATQEQ-LJQANCHMSA-N 2 2 331.435 1.890 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000778219150 580458916 /nfs/dbraw/zinc/45/89/16/580458916.db2.gz WNPIXVHDVBPHTE-UHFFFAOYSA-N 2 2 348.535 1.350 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631192 580170703 /nfs/dbraw/zinc/17/07/03/580170703.db2.gz DDMIHZLHXLPUQN-UHFFFAOYSA-N 2 2 325.416 1.693 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631192 580170704 /nfs/dbraw/zinc/17/07/04/580170704.db2.gz DDMIHZLHXLPUQN-UHFFFAOYSA-N 2 2 325.416 1.693 20 30 EDEDLP C[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000766633196 580170814 /nfs/dbraw/zinc/17/08/14/580170814.db2.gz QFEZOEOXXHSKIY-KBXCAEBGSA-N 2 2 337.427 1.946 20 30 EDEDLP C[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000766633196 580170815 /nfs/dbraw/zinc/17/08/15/580170815.db2.gz QFEZOEOXXHSKIY-KBXCAEBGSA-N 2 2 337.427 1.946 20 30 EDEDLP Cc1nnc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000773178274 580329668 /nfs/dbraw/zinc/32/96/68/580329668.db2.gz YFZXLUFBWILMBU-UHFFFAOYSA-N 2 2 347.444 1.516 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2(C)C)CC1 ZINC000773760772 580345694 /nfs/dbraw/zinc/34/56/94/580345694.db2.gz NIZNYVHBRKERTJ-UHFFFAOYSA-N 2 2 325.456 1.557 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2(C)C)CC1 ZINC000773760772 580345695 /nfs/dbraw/zinc/34/56/95/580345695.db2.gz NIZNYVHBRKERTJ-UHFFFAOYSA-N 2 2 325.456 1.557 20 30 EDEDLP O=C(NCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1N=CC=CC1=O ZINC000784545539 580623397 /nfs/dbraw/zinc/62/33/97/580623397.db2.gz PDMBPZOMECFXIO-FOCLMDBBSA-N 2 2 343.412 1.550 20 30 EDEDLP C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636189 580901083 /nfs/dbraw/zinc/90/10/83/580901083.db2.gz ZMDFPSRWSNZSHS-CHWSQXEVSA-N 2 2 331.449 1.754 20 30 EDEDLP C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636189 580901084 /nfs/dbraw/zinc/90/10/84/580901084.db2.gz ZMDFPSRWSNZSHS-CHWSQXEVSA-N 2 2 331.449 1.754 20 30 EDEDLP Cc1cn(C)nc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703646 592051502 /nfs/dbraw/zinc/05/15/02/592051502.db2.gz ULXPEFUEJPGRNE-UHFFFAOYSA-N 2 2 343.431 1.398 20 30 EDEDLP Cc1cn(C)nc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703646 592051505 /nfs/dbraw/zinc/05/15/05/592051505.db2.gz ULXPEFUEJPGRNE-UHFFFAOYSA-N 2 2 343.431 1.398 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000900593539 592062850 /nfs/dbraw/zinc/06/28/50/592062850.db2.gz HNQZLLRJQUCDBM-UHFFFAOYSA-N 2 2 334.464 1.834 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000900593539 592062853 /nfs/dbraw/zinc/06/28/53/592062853.db2.gz HNQZLLRJQUCDBM-UHFFFAOYSA-N 2 2 334.464 1.834 20 30 EDEDLP N#CCc1cccc2c1CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903933942 592386135 /nfs/dbraw/zinc/38/61/35/592386135.db2.gz BPSROVDTDDBKLC-QGZVFWFLSA-N 2 2 336.443 1.827 20 30 EDEDLP N#CCc1cccc2c1CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903933942 592386140 /nfs/dbraw/zinc/38/61/40/592386140.db2.gz BPSROVDTDDBKLC-QGZVFWFLSA-N 2 2 336.443 1.827 20 30 EDEDLP C#Cc1ccccc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000811881500 593485230 /nfs/dbraw/zinc/48/52/30/593485230.db2.gz ZNZGBHGOGMQDAW-UHFFFAOYSA-N 2 2 327.472 1.695 20 30 EDEDLP C#Cc1ccccc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000811881500 593485231 /nfs/dbraw/zinc/48/52/31/593485231.db2.gz ZNZGBHGOGMQDAW-UHFFFAOYSA-N 2 2 327.472 1.695 20 30 EDEDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CCCC#N)CC2)cc1 ZINC000819221497 593744972 /nfs/dbraw/zinc/74/49/72/593744972.db2.gz LDPIOEGPMNBKDA-KRWDZBQOSA-N 2 2 332.448 1.071 20 30 EDEDLP C#CC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000830311588 594373481 /nfs/dbraw/zinc/37/34/81/594373481.db2.gz QFWDCHPCAURGPZ-UHFFFAOYSA-N 2 2 341.455 1.803 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000852598729 596207012 /nfs/dbraw/zinc/20/70/12/596207012.db2.gz YEOXQSIIYDDJKN-ROUUACIJSA-N 2 2 333.476 1.045 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000852598729 596207014 /nfs/dbraw/zinc/20/70/14/596207014.db2.gz YEOXQSIIYDDJKN-ROUUACIJSA-N 2 2 333.476 1.045 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000867964421 596636757 /nfs/dbraw/zinc/63/67/57/596636757.db2.gz YJZMYJJOSJVEMP-LJQANCHMSA-N 2 2 332.407 1.881 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876710616 597297681 /nfs/dbraw/zinc/29/76/81/597297681.db2.gz MMAJRKVXHMXXJF-HZPDHXFCSA-N 2 2 337.851 1.474 20 30 EDEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876710616 597297683 /nfs/dbraw/zinc/29/76/83/597297683.db2.gz MMAJRKVXHMXXJF-HZPDHXFCSA-N 2 2 337.851 1.474 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262562 597886836 /nfs/dbraw/zinc/88/68/36/597886836.db2.gz PGWYBWXSBOXIOS-HOTGVXAUSA-N 2 2 329.448 1.600 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262562 597886837 /nfs/dbraw/zinc/88/68/37/597886837.db2.gz PGWYBWXSBOXIOS-HOTGVXAUSA-N 2 2 329.448 1.600 20 30 EDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000884036567 597973919 /nfs/dbraw/zinc/97/39/19/597973919.db2.gz YLPCSDZJARVGHM-LJQANCHMSA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000884036567 597973920 /nfs/dbraw/zinc/97/39/20/597973920.db2.gz YLPCSDZJARVGHM-LJQANCHMSA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000884036567 597973922 /nfs/dbraw/zinc/97/39/22/597973922.db2.gz YLPCSDZJARVGHM-LJQANCHMSA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000884036567 597973923 /nfs/dbraw/zinc/97/39/23/597973923.db2.gz YLPCSDZJARVGHM-LJQANCHMSA-N 2 2 340.471 1.442 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031740391 698315797 /nfs/dbraw/zinc/31/57/97/698315797.db2.gz AZZCWAAQAJEOFG-INIZCTEOSA-N 2 2 332.473 1.097 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)s2)C1 ZINC001031740391 698315800 /nfs/dbraw/zinc/31/58/00/698315800.db2.gz AZZCWAAQAJEOFG-INIZCTEOSA-N 2 2 332.473 1.097 20 30 EDEDLP CC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940353797 700537602 /nfs/dbraw/zinc/53/76/02/700537602.db2.gz REZATDCWFKKHSN-UHFFFAOYSA-N 2 2 337.427 1.995 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C(C)(C)C1 ZINC000941074767 701101611 /nfs/dbraw/zinc/10/16/11/701101611.db2.gz FQPUBQKZVCNWDZ-QGZVFWFLSA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C(C)(C)C1 ZINC000941074767 701101614 /nfs/dbraw/zinc/10/16/14/701101614.db2.gz FQPUBQKZVCNWDZ-QGZVFWFLSA-N 2 2 347.503 1.481 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941437290 701540356 /nfs/dbraw/zinc/54/03/56/701540356.db2.gz XPEXYTQMWZSAON-GOSISDBHSA-N 2 2 346.519 1.101 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941437290 701540357 /nfs/dbraw/zinc/54/03/57/701540357.db2.gz XPEXYTQMWZSAON-GOSISDBHSA-N 2 2 346.519 1.101 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943948437 701705255 /nfs/dbraw/zinc/70/52/55/701705255.db2.gz IJWLFZVPTNBGPS-RDJZCZTQSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943948437 701705258 /nfs/dbraw/zinc/70/52/58/701705258.db2.gz IJWLFZVPTNBGPS-RDJZCZTQSA-N 2 2 337.427 1.731 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032183106 702154981 /nfs/dbraw/zinc/15/49/81/702154981.db2.gz ZZZSIDRSTREUSC-KRWDZBQOSA-N 2 2 345.874 1.691 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032183106 702154984 /nfs/dbraw/zinc/15/49/84/702154984.db2.gz ZZZSIDRSTREUSC-KRWDZBQOSA-N 2 2 345.874 1.691 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996454741 702799478 /nfs/dbraw/zinc/79/94/78/702799478.db2.gz ARIJLJUDGOLDCK-LLVKDONJSA-N 2 2 341.253 1.687 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996482049 702813045 /nfs/dbraw/zinc/81/30/45/702813045.db2.gz XZLNYGOEWVMMAE-MRXNPFEDSA-N 2 2 325.416 1.894 20 30 EDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032446349 703615290 /nfs/dbraw/zinc/61/52/90/703615290.db2.gz ZVDYLWROXYJTPP-GBESFXJTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032446349 703615291 /nfs/dbraw/zinc/61/52/91/703615291.db2.gz ZVDYLWROXYJTPP-GBESFXJTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032446348 703615320 /nfs/dbraw/zinc/61/53/20/703615320.db2.gz ZVDYLWROXYJTPP-FHWLQOOXSA-N 2 2 338.455 1.684 20 30 EDEDLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032446348 703615321 /nfs/dbraw/zinc/61/53/21/703615321.db2.gz ZVDYLWROXYJTPP-FHWLQOOXSA-N 2 2 338.455 1.684 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3nocc3C)CC2)CC1 ZINC001004200968 703928166 /nfs/dbraw/zinc/92/81/66/703928166.db2.gz HFFLNVQCQQFGSX-UHFFFAOYSA-N 2 2 344.459 1.409 20 30 EDEDLP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000185542436 703985215 /nfs/dbraw/zinc/98/52/15/703985215.db2.gz IFAUFTJNURIUHH-LSDHHAIUSA-N 2 2 334.468 1.208 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095527 704182480 /nfs/dbraw/zinc/18/24/80/704182480.db2.gz ZAKNRKVINVYOLK-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095527 704182482 /nfs/dbraw/zinc/18/24/82/704182482.db2.gz ZAKNRKVINVYOLK-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095527 704182485 /nfs/dbraw/zinc/18/24/85/704182485.db2.gz ZAKNRKVINVYOLK-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095527 704182488 /nfs/dbraw/zinc/18/24/88/704182488.db2.gz ZAKNRKVINVYOLK-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000945181501 705215074 /nfs/dbraw/zinc/21/50/74/705215074.db2.gz NPFJMRASCBHTDG-CRAIPNDOSA-N 2 2 344.459 1.346 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000945181501 705215079 /nfs/dbraw/zinc/21/50/79/705215079.db2.gz NPFJMRASCBHTDG-CRAIPNDOSA-N 2 2 344.459 1.346 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998265430 705632941 /nfs/dbraw/zinc/63/29/41/705632941.db2.gz HWJCSZUGMNARHZ-OLZOCXBDSA-N 2 2 330.354 1.897 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998265430 705632946 /nfs/dbraw/zinc/63/29/46/705632946.db2.gz HWJCSZUGMNARHZ-OLZOCXBDSA-N 2 2 330.354 1.897 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629651 705753115 /nfs/dbraw/zinc/75/31/15/705753115.db2.gz HJRKCEVGFYMWCD-GJZGRUSLSA-N 2 2 328.416 1.192 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629651 705753120 /nfs/dbraw/zinc/75/31/20/705753120.db2.gz HJRKCEVGFYMWCD-GJZGRUSLSA-N 2 2 328.416 1.192 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000999623625 707145785 /nfs/dbraw/zinc/14/57/85/707145785.db2.gz PXAXHSHLOGAHRU-UHFFFAOYSA-N 2 2 341.883 1.573 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391437 707767576 /nfs/dbraw/zinc/76/75/76/707767576.db2.gz RVXMCOBCUWGCJZ-AWEZNQCLSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391437 707767580 /nfs/dbraw/zinc/76/75/80/707767580.db2.gz RVXMCOBCUWGCJZ-AWEZNQCLSA-N 2 2 344.297 1.770 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032783273 707973958 /nfs/dbraw/zinc/97/39/58/707973958.db2.gz YCOMFKPRUQNGIX-ROUUACIJSA-N 2 2 335.411 1.549 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032783273 707973959 /nfs/dbraw/zinc/97/39/59/707973959.db2.gz YCOMFKPRUQNGIX-ROUUACIJSA-N 2 2 335.411 1.549 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580022 708259840 /nfs/dbraw/zinc/25/98/40/708259840.db2.gz COMKEXKFQZATNW-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580022 708259843 /nfs/dbraw/zinc/25/98/43/708259843.db2.gz COMKEXKFQZATNW-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580022 708259845 /nfs/dbraw/zinc/25/98/45/708259845.db2.gz COMKEXKFQZATNW-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580022 708259848 /nfs/dbraw/zinc/25/98/48/708259848.db2.gz COMKEXKFQZATNW-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663673 708444521 /nfs/dbraw/zinc/44/45/21/708444521.db2.gz XOUWMJCNUQGHTR-STQMWFEESA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663673 708444523 /nfs/dbraw/zinc/44/45/23/708444523.db2.gz XOUWMJCNUQGHTR-STQMWFEESA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663673 708444525 /nfs/dbraw/zinc/44/45/25/708444525.db2.gz XOUWMJCNUQGHTR-STQMWFEESA-N 2 2 330.270 1.379 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663673 708444527 /nfs/dbraw/zinc/44/45/27/708444527.db2.gz XOUWMJCNUQGHTR-STQMWFEESA-N 2 2 330.270 1.379 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837443 708866566 /nfs/dbraw/zinc/86/65/66/708866566.db2.gz HQRRLTIMCQZMEN-RHSMWYFYSA-N 2 2 331.464 1.899 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033837443 708866570 /nfs/dbraw/zinc/86/65/70/708866570.db2.gz HQRRLTIMCQZMEN-RHSMWYFYSA-N 2 2 331.464 1.899 20 30 EDEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033837443 708866573 /nfs/dbraw/zinc/86/65/73/708866573.db2.gz HQRRLTIMCQZMEN-RHSMWYFYSA-N 2 2 331.464 1.899 20 30 EDEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033837443 708866576 /nfs/dbraw/zinc/86/65/76/708866576.db2.gz HQRRLTIMCQZMEN-RHSMWYFYSA-N 2 2 331.464 1.899 20 30 EDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034216556 709571511 /nfs/dbraw/zinc/57/15/11/709571511.db2.gz IRAQTQIUPMQXTA-RHSMWYFYSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034216556 709571514 /nfs/dbraw/zinc/57/15/14/709571514.db2.gz IRAQTQIUPMQXTA-RHSMWYFYSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216556 709571517 /nfs/dbraw/zinc/57/15/17/709571517.db2.gz IRAQTQIUPMQXTA-RHSMWYFYSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216556 709571520 /nfs/dbraw/zinc/57/15/20/709571520.db2.gz IRAQTQIUPMQXTA-RHSMWYFYSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468671 711844459 /nfs/dbraw/zinc/84/44/59/711844459.db2.gz JPINDIPGKRFTLI-IEBWSBKVSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004468671 711844460 /nfs/dbraw/zinc/84/44/60/711844460.db2.gz JPINDIPGKRFTLI-IEBWSBKVSA-N 2 2 340.471 1.782 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000329124191 539412446 /nfs/dbraw/zinc/41/24/46/539412446.db2.gz SFBBLUWZDPMEGP-JKSUJKDBSA-N 2 2 326.485 1.331 20 30 EDEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000329124191 539412451 /nfs/dbraw/zinc/41/24/51/539412451.db2.gz SFBBLUWZDPMEGP-JKSUJKDBSA-N 2 2 326.485 1.331 20 30 EDEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000562372034 306296744 /nfs/dbraw/zinc/29/67/44/306296744.db2.gz XSDIESIRGUMZLX-IAGOWNOFSA-N 2 2 327.476 1.944 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000158391353 206188508 /nfs/dbraw/zinc/18/85/08/206188508.db2.gz MVPMDORHXXSSDC-UHFFFAOYSA-N 2 2 347.459 1.724 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000158391353 206188511 /nfs/dbraw/zinc/18/85/11/206188511.db2.gz MVPMDORHXXSSDC-UHFFFAOYSA-N 2 2 347.459 1.724 20 30 EDEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000266894283 249351348 /nfs/dbraw/zinc/35/13/48/249351348.db2.gz DQRBSVXNAJXYTG-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000266894283 249351352 /nfs/dbraw/zinc/35/13/52/249351352.db2.gz DQRBSVXNAJXYTG-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)[C@H]3CCOC3)CC2)cc1 ZINC000280433650 268065822 /nfs/dbraw/zinc/06/58/22/268065822.db2.gz CDUDHMMQHAUKBE-RBUKOAKNSA-N 2 2 343.471 1.757 20 30 EDEDLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000553146082 306182922 /nfs/dbraw/zinc/18/29/22/306182922.db2.gz ZPHZVKXGPKHFRK-UHFFFAOYSA-N 2 2 340.471 1.934 20 30 EDEDLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000553146082 306182923 /nfs/dbraw/zinc/18/29/23/306182923.db2.gz ZPHZVKXGPKHFRK-UHFFFAOYSA-N 2 2 340.471 1.934 20 30 EDEDLP C=CCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000072205690 441206467 /nfs/dbraw/zinc/20/64/67/441206467.db2.gz RRWBZYRTHJLQIB-CQSZACIVSA-N 2 2 339.509 1.901 20 30 EDEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186204242 442486065 /nfs/dbraw/zinc/48/60/65/442486065.db2.gz HPBRUYCKMIRUPV-UHFFFAOYSA-N 2 2 326.444 1.607 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186512068 442548927 /nfs/dbraw/zinc/54/89/27/442548927.db2.gz DSLINNNFZBXSEK-UHFFFAOYSA-N 2 2 326.444 1.466 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182626142 442797308 /nfs/dbraw/zinc/79/73/08/442797308.db2.gz PBZDGBQIPIQTDW-DFNIBXOVSA-N 2 2 346.519 1.430 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182626142 442797311 /nfs/dbraw/zinc/79/73/11/442797311.db2.gz PBZDGBQIPIQTDW-DFNIBXOVSA-N 2 2 346.519 1.430 20 30 EDEDLP C=CCN(CC=C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182626142 442797313 /nfs/dbraw/zinc/79/73/13/442797313.db2.gz PBZDGBQIPIQTDW-DFNIBXOVSA-N 2 2 346.519 1.430 20 30 EDEDLP C=CCN(CC=C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182626142 442797315 /nfs/dbraw/zinc/79/73/15/442797315.db2.gz PBZDGBQIPIQTDW-DFNIBXOVSA-N 2 2 346.519 1.430 20 30 EDEDLP Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000267872367 442774784 /nfs/dbraw/zinc/77/47/84/442774784.db2.gz KUUXYNIFFHHHKM-UHFFFAOYSA-N 2 2 344.419 1.066 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189610833 442984979 /nfs/dbraw/zinc/98/49/79/442984979.db2.gz WHFZHQFWNWPYTC-NHJHPMQKSA-N 2 2 349.519 1.985 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000189610833 442984981 /nfs/dbraw/zinc/98/49/81/442984981.db2.gz WHFZHQFWNWPYTC-NHJHPMQKSA-N 2 2 349.519 1.985 20 30 EDEDLP CC[NH+]=C(NCCn1cncn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968351 443176001 /nfs/dbraw/zinc/17/60/01/443176001.db2.gz MBNJTGLCOVTXAW-LSDHHAIUSA-N 2 2 330.440 1.023 20 30 EDEDLP CCNC(NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)=[NH+]CC ZINC000264063918 443247214 /nfs/dbraw/zinc/24/72/14/443247214.db2.gz AKWKKPWDEVACJP-UHFFFAOYSA-N 2 2 333.480 1.392 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264172790 443253653 /nfs/dbraw/zinc/25/36/53/443253653.db2.gz IGLNGORDKWAJQY-OAHLLOKOSA-N 2 2 345.447 1.220 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271234513 443497405 /nfs/dbraw/zinc/49/74/05/443497405.db2.gz CACDJLJCQQHGTQ-LJQANCHMSA-N 2 2 342.487 1.181 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271234513 443497409 /nfs/dbraw/zinc/49/74/09/443497409.db2.gz CACDJLJCQQHGTQ-LJQANCHMSA-N 2 2 342.487 1.181 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000293889882 444094123 /nfs/dbraw/zinc/09/41/23/444094123.db2.gz DJYXUWGDPJTLFH-UHFFFAOYSA-N 2 2 329.444 1.204 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000293889882 444094125 /nfs/dbraw/zinc/09/41/25/444094125.db2.gz DJYXUWGDPJTLFH-UHFFFAOYSA-N 2 2 329.444 1.204 20 30 EDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328789984 444353754 /nfs/dbraw/zinc/35/37/54/444353754.db2.gz QDBTWMXOBFSNMG-RDTXWAMCSA-N 2 2 336.480 1.370 20 30 EDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328789984 444353759 /nfs/dbraw/zinc/35/37/59/444353759.db2.gz QDBTWMXOBFSNMG-RDTXWAMCSA-N 2 2 336.480 1.370 20 30 EDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328789984 444353763 /nfs/dbraw/zinc/35/37/63/444353763.db2.gz QDBTWMXOBFSNMG-RDTXWAMCSA-N 2 2 336.480 1.370 20 30 EDEDLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328789984 444353768 /nfs/dbraw/zinc/35/37/68/444353768.db2.gz QDBTWMXOBFSNMG-RDTXWAMCSA-N 2 2 336.480 1.370 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000328882897 444387458 /nfs/dbraw/zinc/38/74/58/444387458.db2.gz XLCBLXQAJOBHMR-AEFFLSMTSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000328882897 444387464 /nfs/dbraw/zinc/38/74/64/444387464.db2.gz XLCBLXQAJOBHMR-AEFFLSMTSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000328882897 444387468 /nfs/dbraw/zinc/38/74/68/444387468.db2.gz XLCBLXQAJOBHMR-AEFFLSMTSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000328882897 444387474 /nfs/dbraw/zinc/38/74/74/444387474.db2.gz XLCBLXQAJOBHMR-AEFFLSMTSA-N 2 2 336.480 1.372 20 30 EDEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329191479 444496487 /nfs/dbraw/zinc/49/64/87/444496487.db2.gz QKOVOPHIZWIQGS-JYJNAYRXSA-N 2 2 347.463 1.297 20 30 EDEDLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338529440 444735920 /nfs/dbraw/zinc/73/59/20/444735920.db2.gz NBHZQTXBAHBPBG-UHFFFAOYSA-N 2 2 343.475 1.726 20 30 EDEDLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338529440 444735924 /nfs/dbraw/zinc/73/59/24/444735924.db2.gz NBHZQTXBAHBPBG-UHFFFAOYSA-N 2 2 343.475 1.726 20 30 EDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330320100 444935884 /nfs/dbraw/zinc/93/58/84/444935884.db2.gz DVKRSUXOJDMUEP-BFYDXBDKSA-N 2 2 349.479 1.876 20 30 EDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330320100 444935890 /nfs/dbraw/zinc/93/58/90/444935890.db2.gz DVKRSUXOJDMUEP-BFYDXBDKSA-N 2 2 349.479 1.876 20 30 EDEDLP C=CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000347086410 445231378 /nfs/dbraw/zinc/23/13/78/445231378.db2.gz CDZYNGLWVSICLP-UHFFFAOYSA-N 2 2 337.851 1.768 20 30 EDEDLP C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000347086410 445231379 /nfs/dbraw/zinc/23/13/79/445231379.db2.gz CDZYNGLWVSICLP-UHFFFAOYSA-N 2 2 337.851 1.768 20 30 EDEDLP C=CCSCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364281609 445906649 /nfs/dbraw/zinc/90/66/49/445906649.db2.gz MZVNQKQINAZDSV-MRXNPFEDSA-N 2 2 340.537 1.716 20 30 EDEDLP C=CCSCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364281609 445906655 /nfs/dbraw/zinc/90/66/55/445906655.db2.gz MZVNQKQINAZDSV-MRXNPFEDSA-N 2 2 340.537 1.716 20 30 EDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000583559797 326095384 /nfs/dbraw/zinc/09/53/84/326095384.db2.gz KNRKBDWZOVVXJR-KRWDZBQOSA-N 2 2 349.500 1.899 20 30 EDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000583559797 326095385 /nfs/dbraw/zinc/09/53/85/326095385.db2.gz KNRKBDWZOVVXJR-KRWDZBQOSA-N 2 2 349.500 1.899 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373904864 446340975 /nfs/dbraw/zinc/34/09/75/446340975.db2.gz JIGKPPNGUHQOEB-BHIYHBOVSA-N 2 2 349.519 1.985 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373904864 446340977 /nfs/dbraw/zinc/34/09/77/446340977.db2.gz JIGKPPNGUHQOEB-BHIYHBOVSA-N 2 2 349.519 1.985 20 30 EDEDLP C=CCNC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435680891 446708405 /nfs/dbraw/zinc/70/84/05/446708405.db2.gz GGQXDAXZOWXHCQ-HNNXBMFYSA-N 2 2 331.464 1.149 20 30 EDEDLP C=C(C)C[NH+]1CCC(Nc2nc(NCC)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000553407928 447990120 /nfs/dbraw/zinc/99/01/20/447990120.db2.gz FOMASVGJCNWXMO-UHFFFAOYSA-N 2 2 347.511 1.810 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000491315702 447991762 /nfs/dbraw/zinc/99/17/62/447991762.db2.gz PPUNFQVVFUBJDC-QGZVFWFLSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000491315702 447991764 /nfs/dbraw/zinc/99/17/64/447991764.db2.gz PPUNFQVVFUBJDC-QGZVFWFLSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000491442100 448030561 /nfs/dbraw/zinc/03/05/61/448030561.db2.gz ZQWOVYRYRHLUHS-KRWDZBQOSA-N 2 2 349.862 1.395 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781373 448120092 /nfs/dbraw/zinc/12/00/92/448120092.db2.gz MFTVXMIHFHDSHI-BHYGNILZSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781373 448120097 /nfs/dbraw/zinc/12/00/97/448120097.db2.gz MFTVXMIHFHDSHI-BHYGNILZSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@H](C)[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781373 448120102 /nfs/dbraw/zinc/12/01/02/448120102.db2.gz MFTVXMIHFHDSHI-BHYGNILZSA-N 2 2 325.412 1.014 20 30 EDEDLP C#C[C@H](C)[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000491781373 448120108 /nfs/dbraw/zinc/12/01/08/448120108.db2.gz MFTVXMIHFHDSHI-BHYGNILZSA-N 2 2 325.412 1.014 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CC1 ZINC000535577056 448495990 /nfs/dbraw/zinc/49/59/90/448495990.db2.gz ZAMSFOJGVYNLTO-GOSISDBHSA-N 2 2 327.432 1.766 20 30 EDEDLP C=C(C)C[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000517306117 448570607 /nfs/dbraw/zinc/57/06/07/448570607.db2.gz GDHSSWNEUCQJLA-UHFFFAOYSA-N 2 2 341.459 1.330 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588648434 448907912 /nfs/dbraw/zinc/90/79/12/448907912.db2.gz XPIXMOGRBZKRHF-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588648434 448907915 /nfs/dbraw/zinc/90/79/15/448907915.db2.gz XPIXMOGRBZKRHF-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cccc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589452988 449019303 /nfs/dbraw/zinc/01/93/03/449019303.db2.gz UKGWKNLLEHGNBR-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cccc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589452988 449019307 /nfs/dbraw/zinc/01/93/07/449019307.db2.gz UKGWKNLLEHGNBR-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597989347 449172854 /nfs/dbraw/zinc/17/28/54/449172854.db2.gz FCDPGCBWQLJZOQ-UHFFFAOYSA-N 2 2 328.460 1.855 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597989347 449172858 /nfs/dbraw/zinc/17/28/58/449172858.db2.gz FCDPGCBWQLJZOQ-UHFFFAOYSA-N 2 2 328.460 1.855 20 30 EDEDLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000595905328 449244738 /nfs/dbraw/zinc/24/47/38/449244738.db2.gz BSIWBBAOUVIRSE-SFHVURJKSA-N 2 2 344.459 1.217 20 30 EDEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000595905328 449244742 /nfs/dbraw/zinc/24/47/42/449244742.db2.gz BSIWBBAOUVIRSE-SFHVURJKSA-N 2 2 344.459 1.217 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000594441184 449518805 /nfs/dbraw/zinc/51/88/05/449518805.db2.gz OODBTBNKHQBZPU-MSOLQXFVSA-N 2 2 344.459 1.587 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000594441185 449520029 /nfs/dbraw/zinc/52/00/29/449520029.db2.gz OODBTBNKHQBZPU-QZTJIDSGSA-N 2 2 344.459 1.587 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598730376 449568293 /nfs/dbraw/zinc/56/82/93/449568293.db2.gz UMSVGLGVDKLRSU-RTBURBONSA-N 2 2 344.503 1.693 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598730376 449568300 /nfs/dbraw/zinc/56/83/00/449568300.db2.gz UMSVGLGVDKLRSU-RTBURBONSA-N 2 2 344.503 1.693 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000596641530 449582457 /nfs/dbraw/zinc/58/24/57/449582457.db2.gz OQLNCNDFIVLDOR-UHFFFAOYSA-N 2 2 331.464 1.435 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000596641530 449582462 /nfs/dbraw/zinc/58/24/62/449582462.db2.gz OQLNCNDFIVLDOR-UHFFFAOYSA-N 2 2 331.464 1.435 20 30 EDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000599064680 449715853 /nfs/dbraw/zinc/71/58/53/449715853.db2.gz FMEICIMQXMWIAV-MSOLQXFVSA-N 2 2 326.444 1.865 20 30 EDEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000599064680 449715857 /nfs/dbraw/zinc/71/58/57/449715857.db2.gz FMEICIMQXMWIAV-MSOLQXFVSA-N 2 2 326.444 1.865 20 30 EDEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602860622 449870009 /nfs/dbraw/zinc/87/00/09/449870009.db2.gz DSJSFCCTAOEPAF-KRWDZBQOSA-N 2 2 328.460 1.921 20 30 EDEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602860622 449870013 /nfs/dbraw/zinc/87/00/13/449870013.db2.gz DSJSFCCTAOEPAF-KRWDZBQOSA-N 2 2 328.460 1.921 20 30 EDEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000599393043 449939920 /nfs/dbraw/zinc/93/99/20/449939920.db2.gz BWKRVFFEGNIKIJ-NVXWUHKLSA-N 2 2 331.416 1.606 20 30 EDEDLP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000599393043 449939923 /nfs/dbraw/zinc/93/99/23/449939923.db2.gz BWKRVFFEGNIKIJ-NVXWUHKLSA-N 2 2 331.416 1.606 20 30 EDEDLP C=CCCOCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118524 452834844 /nfs/dbraw/zinc/83/48/44/452834844.db2.gz FRUZBIZZVWHPMA-HNNXBMFYSA-N 2 2 332.448 1.484 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693695 453519393 /nfs/dbraw/zinc/51/93/93/453519393.db2.gz KEUHRIBAHIDAMD-QGZVFWFLSA-N 2 2 337.508 1.648 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684566323 487099956 /nfs/dbraw/zinc/09/99/56/487099956.db2.gz NIYFHSLVZVLBKU-UHFFFAOYSA-N 2 2 326.400 1.365 20 30 EDEDLP CCCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000102653985 528405204 /nfs/dbraw/zinc/40/52/04/528405204.db2.gz ZUSLBECTVJQXLE-UHFFFAOYSA-N 2 2 332.448 1.836 20 30 EDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000104173576 529101596 /nfs/dbraw/zinc/10/15/96/529101596.db2.gz UBSLUSVYDSFKEK-ZBFHGGJFSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000104173576 529101602 /nfs/dbraw/zinc/10/16/02/529101602.db2.gz UBSLUSVYDSFKEK-ZBFHGGJFSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000104173576 529101606 /nfs/dbraw/zinc/10/16/06/529101606.db2.gz UBSLUSVYDSFKEK-ZBFHGGJFSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000104173576 529101612 /nfs/dbraw/zinc/10/16/12/529101612.db2.gz UBSLUSVYDSFKEK-ZBFHGGJFSA-N 3 2 349.548 1.883 20 30 EDEDLP N#CCOc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000731213360 578670920 /nfs/dbraw/zinc/67/09/20/578670920.db2.gz SVYBJVGXJPFWLX-UHFFFAOYSA-N 2 2 342.443 1.329 20 30 EDEDLP C#CC[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000749155081 579714512 /nfs/dbraw/zinc/71/45/12/579714512.db2.gz LSNKKYVJJUEHFC-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C#CC[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000749155081 579714514 /nfs/dbraw/zinc/71/45/14/579714514.db2.gz LSNKKYVJJUEHFC-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C#CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000749155081 579714515 /nfs/dbraw/zinc/71/45/15/579714515.db2.gz LSNKKYVJJUEHFC-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C#CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000749155081 579714517 /nfs/dbraw/zinc/71/45/17/579714517.db2.gz LSNKKYVJJUEHFC-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCc3ccccc3F)cn2)CC1 ZINC000755776107 579934671 /nfs/dbraw/zinc/93/46/71/579934671.db2.gz XDQAHRKUZWHQSD-UHFFFAOYSA-N 2 2 342.422 1.534 20 30 EDEDLP C=CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000786438726 580670591 /nfs/dbraw/zinc/67/05/91/580670591.db2.gz VFQQVGMWGFICHH-GOSISDBHSA-N 2 2 333.476 1.686 20 30 EDEDLP C=CCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000786438726 580670592 /nfs/dbraw/zinc/67/05/92/580670592.db2.gz VFQQVGMWGFICHH-GOSISDBHSA-N 2 2 333.476 1.686 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000900595181 592063158 /nfs/dbraw/zinc/06/31/58/592063158.db2.gz WPKCXCNWHBVVKH-UHFFFAOYSA-N 2 2 333.480 1.445 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000900595181 592063160 /nfs/dbraw/zinc/06/31/60/592063160.db2.gz WPKCXCNWHBVVKH-UHFFFAOYSA-N 2 2 333.480 1.445 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000900595181 592063161 /nfs/dbraw/zinc/06/31/61/592063161.db2.gz WPKCXCNWHBVVKH-UHFFFAOYSA-N 2 2 333.480 1.445 20 30 EDEDLP COC(=O)N1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901462196 592370143 /nfs/dbraw/zinc/37/01/43/592370143.db2.gz RTHRQMKWNSSPBO-JBWWEBJPSA-N 2 2 341.371 1.272 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000908317121 592430702 /nfs/dbraw/zinc/43/07/02/592430702.db2.gz VPYCUIJORUUPTO-INIZCTEOSA-N 2 2 341.521 1.161 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000806905857 593125501 /nfs/dbraw/zinc/12/55/01/593125501.db2.gz YHOMMDXXDVKDSS-UHFFFAOYSA-N 2 2 327.419 1.567 20 30 EDEDLP C#CC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000830305705 594372021 /nfs/dbraw/zinc/37/20/21/594372021.db2.gz ROZSKSRFHNIOOE-UHFFFAOYSA-N 2 2 339.483 1.984 20 30 EDEDLP COc1ccc([NH+]2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000828353238 594398996 /nfs/dbraw/zinc/39/89/96/594398996.db2.gz LGCGCJDWUMZNLV-QGZVFWFLSA-N 2 2 330.432 1.801 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000841163275 594861295 /nfs/dbraw/zinc/86/12/95/594861295.db2.gz TWOGCWFXPCDQDW-PBHICJAKSA-N 2 2 348.410 1.835 20 30 EDEDLP C#Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000836319240 594951009 /nfs/dbraw/zinc/95/10/09/594951009.db2.gz RWHJTKLNIXSMJK-SFHVURJKSA-N 2 2 340.471 1.636 20 30 EDEDLP C#Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000836319240 594951010 /nfs/dbraw/zinc/95/10/10/594951010.db2.gz RWHJTKLNIXSMJK-SFHVURJKSA-N 2 2 340.471 1.636 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000837016329 595024470 /nfs/dbraw/zinc/02/44/70/595024470.db2.gz CNWXJKRTWSMHNT-UHFFFAOYSA-N 2 2 327.226 1.966 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852854198 595577354 /nfs/dbraw/zinc/57/73/54/595577354.db2.gz DZQFZFMHCOXCRP-UHFFFAOYSA-N 2 2 327.428 1.460 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000852859388 595580888 /nfs/dbraw/zinc/58/08/88/595580888.db2.gz SGBKXQHJXVWWEH-IBGZPJMESA-N 2 2 341.455 1.179 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000852861335 595581750 /nfs/dbraw/zinc/58/17/50/595581750.db2.gz BWVKDYURWFFQJI-UHFFFAOYSA-N 2 2 326.375 1.631 20 30 EDEDLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729089 597309858 /nfs/dbraw/zinc/30/98/58/597309858.db2.gz DQNGGBQFBRQHDR-SCLBCKFNSA-N 2 2 337.427 1.703 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000884204628 598028125 /nfs/dbraw/zinc/02/81/25/598028125.db2.gz AAZGHTBLAVVAJX-INIZCTEOSA-N 2 2 337.464 1.204 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000884222778 598034437 /nfs/dbraw/zinc/03/44/37/598034437.db2.gz AHUPOJHNIZBPEF-KSZLIROESA-N 2 2 348.491 1.027 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000884222778 598034440 /nfs/dbraw/zinc/03/44/40/598034440.db2.gz AHUPOJHNIZBPEF-KSZLIROESA-N 2 2 348.491 1.027 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993827313 696396161 /nfs/dbraw/zinc/39/61/61/696396161.db2.gz SSBLKHUCBZFIQQ-HOCLYGCPSA-N 2 2 330.432 1.486 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993827313 696396163 /nfs/dbraw/zinc/39/61/63/696396163.db2.gz SSBLKHUCBZFIQQ-HOCLYGCPSA-N 2 2 330.432 1.486 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCc3cccs3)C2)CC1 ZINC001031434746 697101580 /nfs/dbraw/zinc/10/15/80/697101580.db2.gz CRWRXEIKFTXIHE-UHFFFAOYSA-N 2 2 331.485 1.436 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000939623077 699760509 /nfs/dbraw/zinc/76/05/09/699760509.db2.gz QKKWLIFXGYZMKY-MEDUHNTESA-N 2 2 343.456 1.831 20 30 EDEDLP CC1([NH2+]Cc2ccc(C#N)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940355801 700517405 /nfs/dbraw/zinc/51/74/05/700517405.db2.gz ASYMZUFMBBBLHN-UHFFFAOYSA-N 2 2 337.427 1.995 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846649 700941872 /nfs/dbraw/zinc/94/18/72/700941872.db2.gz FBSKHFZWOWYYQZ-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846649 700941874 /nfs/dbraw/zinc/94/18/74/700941874.db2.gz FBSKHFZWOWYYQZ-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979053 702041353 /nfs/dbraw/zinc/04/13/53/702041353.db2.gz XYIJNJLEKYKHFE-KXBFYZLASA-N 2 2 343.446 1.423 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979053 702041361 /nfs/dbraw/zinc/04/13/61/702041361.db2.gz XYIJNJLEKYKHFE-KXBFYZLASA-N 2 2 343.446 1.423 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995246638 702940726 /nfs/dbraw/zinc/94/07/26/702940726.db2.gz YAXSYZGSURZPTC-ROUUACIJSA-N 2 2 337.427 1.829 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC000997126907 703386049 /nfs/dbraw/zinc/38/60/49/703386049.db2.gz PARJLIURZYKBLD-UHFFFAOYSA-N 2 2 329.429 1.666 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997186418 703475552 /nfs/dbraw/zinc/47/55/52/703475552.db2.gz JLAWSARTQTXKTA-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997725960 704621918 /nfs/dbraw/zinc/62/19/18/704621918.db2.gz MUKNIRRDTFZRRR-QFBILLFUSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997725960 704621921 /nfs/dbraw/zinc/62/19/21/704621921.db2.gz MUKNIRRDTFZRRR-QFBILLFUSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308059 705720350 /nfs/dbraw/zinc/72/03/50/705720350.db2.gz XRRIGRSRZKGNQB-WCQYABFASA-N 2 2 328.338 1.263 20 30 EDEDLP N#Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001034547521 710222171 /nfs/dbraw/zinc/22/21/71/710222171.db2.gz SXGMOFMJGDNPLI-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001034547521 710222173 /nfs/dbraw/zinc/22/21/73/710222173.db2.gz SXGMOFMJGDNPLI-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500395 711900257 /nfs/dbraw/zinc/90/02/57/711900257.db2.gz OQYXPPFRBUHUOP-GOSISDBHSA-N 2 2 328.460 2.000 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500395 711900259 /nfs/dbraw/zinc/90/02/59/711900259.db2.gz OQYXPPFRBUHUOP-GOSISDBHSA-N 2 2 328.460 2.000 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645290 712133965 /nfs/dbraw/zinc/13/39/65/712133965.db2.gz PZRHIBDBKZGJTL-ZACQAIPSSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645290 712133966 /nfs/dbraw/zinc/13/39/66/712133966.db2.gz PZRHIBDBKZGJTL-ZACQAIPSSA-N 2 2 326.444 1.249 20 30 EDEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329399646 539433958 /nfs/dbraw/zinc/43/39/58/539433958.db2.gz YKZAEHPYYZBLJA-INIZCTEOSA-N 2 2 339.528 1.390 20 30 EDEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000329399646 539433963 /nfs/dbraw/zinc/43/39/63/539433963.db2.gz YKZAEHPYYZBLJA-INIZCTEOSA-N 2 2 339.528 1.390 20 30 EDEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000329408888 539435047 /nfs/dbraw/zinc/43/50/47/539435047.db2.gz DKJHHHFYYCAXGC-OKILXGFUSA-N 2 2 335.452 1.501 20 30 EDEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000329408888 539435053 /nfs/dbraw/zinc/43/50/53/539435053.db2.gz DKJHHHFYYCAXGC-OKILXGFUSA-N 2 2 335.452 1.501 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@H]1C[N@H+](C)CCO1 ZINC000263262502 249328311 /nfs/dbraw/zinc/32/83/11/249328311.db2.gz TVQVUEUGJFVRQU-HNNXBMFYSA-N 2 2 329.448 1.206 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@H]1C[N@@H+](C)CCO1 ZINC000263262502 249328314 /nfs/dbraw/zinc/32/83/14/249328314.db2.gz TVQVUEUGJFVRQU-HNNXBMFYSA-N 2 2 329.448 1.206 20 30 EDEDLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(CCC#N)CC[NH+]1CCOCC1 ZINC000367919868 250197261 /nfs/dbraw/zinc/19/72/61/250197261.db2.gz CGWHWMUCQJENLS-ZWKOTPCHSA-N 2 2 335.496 1.008 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000373095140 250231889 /nfs/dbraw/zinc/23/18/89/250231889.db2.gz OCWVJLCDXMXVRY-HNNXBMFYSA-N 2 2 329.448 1.942 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000373095140 250231890 /nfs/dbraw/zinc/23/18/90/250231890.db2.gz OCWVJLCDXMXVRY-HNNXBMFYSA-N 2 2 329.448 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCOC)c2ccc(C)o2)CC1 ZINC000490936166 255110768 /nfs/dbraw/zinc/11/07/68/255110768.db2.gz PQLFWHPLKBCIMG-INIZCTEOSA-N 2 2 333.432 1.033 20 30 EDEDLP C#C[C@@H](CCC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000491702993 255143410 /nfs/dbraw/zinc/14/34/10/255143410.db2.gz IYQSHUBFOTUFSF-XNHLSEOASA-N 2 2 332.492 1.741 20 30 EDEDLP C#C[C@@H](CCC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000491702993 255143411 /nfs/dbraw/zinc/14/34/11/255143411.db2.gz IYQSHUBFOTUFSF-XNHLSEOASA-N 2 2 332.492 1.741 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491626528 255133437 /nfs/dbraw/zinc/13/34/37/255133437.db2.gz LLTKDITYPBALJP-UHFFFAOYSA-N 2 2 329.448 1.305 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491626528 255133439 /nfs/dbraw/zinc/13/34/39/255133439.db2.gz LLTKDITYPBALJP-UHFFFAOYSA-N 2 2 329.448 1.305 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408426881 158358591 /nfs/dbraw/zinc/35/85/91/158358591.db2.gz LRQCZVLLLONQMI-AWEZNQCLSA-N 2 2 342.443 1.504 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408426881 158358593 /nfs/dbraw/zinc/35/85/93/158358593.db2.gz LRQCZVLLLONQMI-AWEZNQCLSA-N 2 2 342.443 1.504 20 30 EDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C#N)CC1 ZINC000057876447 441139659 /nfs/dbraw/zinc/13/96/59/441139659.db2.gz SHNRWTKVVJCRRC-OAHLLOKOSA-N 2 2 327.432 1.354 20 30 EDEDLP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000113340706 441602619 /nfs/dbraw/zinc/60/26/19/441602619.db2.gz DKBNXLLXWIJLCO-UHFFFAOYSA-N 2 2 329.444 1.341 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161863687 442038756 /nfs/dbraw/zinc/03/87/56/442038756.db2.gz PDRAUCWQOBGHGC-ROUUACIJSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161863687 442038762 /nfs/dbraw/zinc/03/87/62/442038762.db2.gz PDRAUCWQOBGHGC-ROUUACIJSA-N 2 2 349.523 1.096 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157272636 442567383 /nfs/dbraw/zinc/56/73/83/442567383.db2.gz CTYNSYFVAHZKTP-KRWDZBQOSA-N 2 2 331.464 1.593 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157272636 442567388 /nfs/dbraw/zinc/56/73/88/442567388.db2.gz CTYNSYFVAHZKTP-KRWDZBQOSA-N 2 2 331.464 1.593 20 30 EDEDLP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181507359 442700739 /nfs/dbraw/zinc/70/07/39/442700739.db2.gz HFXNAOBBHPBVOM-QGZVFWFLSA-N 2 2 342.487 1.833 20 30 EDEDLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000193620005 442760377 /nfs/dbraw/zinc/76/03/77/442760377.db2.gz PMGRCSYYCNIROY-UHFFFAOYSA-N 2 2 329.448 1.360 20 30 EDEDLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000193620005 442760378 /nfs/dbraw/zinc/76/03/78/442760378.db2.gz PMGRCSYYCNIROY-UHFFFAOYSA-N 2 2 329.448 1.360 20 30 EDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264055253 443247441 /nfs/dbraw/zinc/24/74/41/443247441.db2.gz APBDEAFTGPANNI-SFHVURJKSA-N 3 2 340.475 1.820 20 30 EDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264055253 443247444 /nfs/dbraw/zinc/24/74/44/443247444.db2.gz APBDEAFTGPANNI-SFHVURJKSA-N 3 2 340.475 1.820 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCCCCC2)cc1 ZINC000267004363 443311863 /nfs/dbraw/zinc/31/18/63/443311863.db2.gz IXBOHFFPQFNQQO-UHFFFAOYSA-N 2 2 332.448 1.788 20 30 EDEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267309395 443413881 /nfs/dbraw/zinc/41/38/81/443413881.db2.gz ZPDCPTJQCOLFDF-HNNXBMFYSA-N 2 2 344.459 1.468 20 30 EDEDLP C[C@H](CCC#N)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000276319137 443686746 /nfs/dbraw/zinc/68/67/46/443686746.db2.gz OCOOXWFFGMDPHB-OAHLLOKOSA-N 2 2 330.436 1.127 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285515023 444012830 /nfs/dbraw/zinc/01/28/30/444012830.db2.gz KATGHMLUBLAWPI-XLIONFOSSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285515023 444012833 /nfs/dbraw/zinc/01/28/33/444012833.db2.gz KATGHMLUBLAWPI-XLIONFOSSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285515023 444012836 /nfs/dbraw/zinc/01/28/36/444012836.db2.gz KATGHMLUBLAWPI-XLIONFOSSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285515023 444012840 /nfs/dbraw/zinc/01/28/40/444012840.db2.gz KATGHMLUBLAWPI-XLIONFOSSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000294081750 444100677 /nfs/dbraw/zinc/10/06/77/444100677.db2.gz LIRSNUHXZAQSJN-HNNXBMFYSA-N 2 2 334.489 1.345 20 30 EDEDLP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000294081750 444100681 /nfs/dbraw/zinc/10/06/81/444100681.db2.gz LIRSNUHXZAQSJN-HNNXBMFYSA-N 2 2 334.489 1.345 20 30 EDEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000294081750 444100685 /nfs/dbraw/zinc/10/06/85/444100685.db2.gz LIRSNUHXZAQSJN-HNNXBMFYSA-N 2 2 334.489 1.345 20 30 EDEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000294081750 444100688 /nfs/dbraw/zinc/10/06/88/444100688.db2.gz LIRSNUHXZAQSJN-HNNXBMFYSA-N 2 2 334.489 1.345 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000285924108 444153608 /nfs/dbraw/zinc/15/36/08/444153608.db2.gz IEHXRKDXBMPKII-UHFFFAOYSA-N 2 2 344.434 1.986 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310300964 444291370 /nfs/dbraw/zinc/29/13/70/444291370.db2.gz UHUJLLLSOGLYHT-UHOSZYNNSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310300964 444291372 /nfs/dbraw/zinc/29/13/72/444291372.db2.gz UHUJLLLSOGLYHT-UHOSZYNNSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310300964 444291374 /nfs/dbraw/zinc/29/13/74/444291374.db2.gz UHUJLLLSOGLYHT-UHOSZYNNSA-N 2 2 325.456 1.578 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310300964 444291375 /nfs/dbraw/zinc/29/13/75/444291375.db2.gz UHUJLLLSOGLYHT-UHOSZYNNSA-N 2 2 325.456 1.578 20 30 EDEDLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000329029378 444450883 /nfs/dbraw/zinc/45/08/83/444450883.db2.gz PFDNGOAKVPBCEP-BZUAXINKSA-N 2 2 332.448 1.831 20 30 EDEDLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000329029378 444450884 /nfs/dbraw/zinc/45/08/84/444450884.db2.gz PFDNGOAKVPBCEP-BZUAXINKSA-N 2 2 332.448 1.831 20 30 EDEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000329228229 444507079 /nfs/dbraw/zinc/50/70/79/444507079.db2.gz BQIYDUCTNLRZSP-MRXNPFEDSA-N 2 2 345.491 1.638 20 30 EDEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000329245211 444511813 /nfs/dbraw/zinc/51/18/13/444511813.db2.gz AAQRAEZZRJCJLV-KKUMJFAQSA-N 2 2 335.452 1.061 20 30 EDEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000329245211 444511815 /nfs/dbraw/zinc/51/18/15/444511815.db2.gz AAQRAEZZRJCJLV-KKUMJFAQSA-N 2 2 335.452 1.061 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901172 444760388 /nfs/dbraw/zinc/76/03/88/444760388.db2.gz GRAHNSSMIXTNIS-HZPDHXFCSA-N 2 2 349.479 1.306 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901172 444760390 /nfs/dbraw/zinc/76/03/90/444760390.db2.gz GRAHNSSMIXTNIS-HZPDHXFCSA-N 2 2 349.479 1.306 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901172 444760395 /nfs/dbraw/zinc/76/03/95/444760395.db2.gz GRAHNSSMIXTNIS-HZPDHXFCSA-N 2 2 349.479 1.306 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)COCC3CC3)CC2)cc1 ZINC000344092484 444777114 /nfs/dbraw/zinc/77/71/14/444777114.db2.gz DRWBPCSYGYECCA-FQEVSTJZSA-N 2 2 343.471 1.900 20 30 EDEDLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000330283378 444922295 /nfs/dbraw/zinc/92/22/95/444922295.db2.gz BHWZKAHEQJQSDQ-WBVHZDCISA-N 2 2 349.479 1.876 20 30 EDEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362670220 445490529 /nfs/dbraw/zinc/49/05/29/445490529.db2.gz JMMJEBYXOVPMQX-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362670220 445490530 /nfs/dbraw/zinc/49/05/30/445490530.db2.gz JMMJEBYXOVPMQX-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000365381431 446178622 /nfs/dbraw/zinc/17/86/22/446178622.db2.gz UPVVOIJACOKPBE-LJQANCHMSA-N 2 2 328.460 1.397 20 30 EDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000365381431 446178624 /nfs/dbraw/zinc/17/86/24/446178624.db2.gz UPVVOIJACOKPBE-LJQANCHMSA-N 2 2 328.460 1.397 20 30 EDEDLP Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C#N)c[nH+]1 ZINC000425231355 447072737 /nfs/dbraw/zinc/07/27/37/447072737.db2.gz UFTYGZBSMJYOIS-UHFFFAOYSA-N 2 2 337.427 1.587 20 30 EDEDLP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cn2)CC1 ZINC000554487787 448026572 /nfs/dbraw/zinc/02/65/72/448026572.db2.gz LMJQISNVZTWGPB-INIZCTEOSA-N 2 2 326.448 1.757 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000582772179 448333457 /nfs/dbraw/zinc/33/34/57/448333457.db2.gz NESPTDBKGVURCQ-GJZGRUSLSA-N 2 2 331.464 1.746 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000582772179 448333462 /nfs/dbraw/zinc/33/34/62/448333462.db2.gz NESPTDBKGVURCQ-GJZGRUSLSA-N 2 2 331.464 1.746 20 30 EDEDLP C=CCCS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000566165572 448401424 /nfs/dbraw/zinc/40/14/24/448401424.db2.gz YIGXBGBPBUACPJ-UHFFFAOYSA-N 2 2 329.510 1.384 20 30 EDEDLP C=CCCS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000566165572 448401428 /nfs/dbraw/zinc/40/14/28/448401428.db2.gz YIGXBGBPBUACPJ-UHFFFAOYSA-N 2 2 329.510 1.384 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000516453827 448422509 /nfs/dbraw/zinc/42/25/09/448422509.db2.gz KMTFEAWDCDRKOL-SFHVURJKSA-N 2 2 332.444 1.869 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000583368633 448433303 /nfs/dbraw/zinc/43/33/03/448433303.db2.gz BPAGGBKNGMCZPK-OALUTQOASA-N 2 2 330.476 1.619 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000583368633 448433305 /nfs/dbraw/zinc/43/33/05/448433305.db2.gz BPAGGBKNGMCZPK-OALUTQOASA-N 2 2 330.476 1.619 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371990 448522853 /nfs/dbraw/zinc/52/28/53/448522853.db2.gz YSGHTWQYAPZPIP-OAHLLOKOSA-N 2 2 329.448 1.966 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000569214704 448980883 /nfs/dbraw/zinc/98/08/83/448980883.db2.gz ZHOUIILGWOLGSD-AWEZNQCLSA-N 2 2 347.850 1.822 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000597990352 449175284 /nfs/dbraw/zinc/17/52/84/449175284.db2.gz TUJAVANFGGAMLQ-UHFFFAOYSA-N 2 2 346.475 1.715 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000597990352 449175288 /nfs/dbraw/zinc/17/52/88/449175288.db2.gz TUJAVANFGGAMLQ-UHFFFAOYSA-N 2 2 346.475 1.715 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000611438858 449290727 /nfs/dbraw/zinc/29/07/27/449290727.db2.gz VMPZTYBZBAQPOR-JXFKEZNVSA-N 2 2 342.487 1.831 20 30 EDEDLP C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000594306124 449440357 /nfs/dbraw/zinc/44/03/57/449440357.db2.gz LCZOTHUANADIKI-MRXNPFEDSA-N 2 2 342.487 1.879 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615537 449495595 /nfs/dbraw/zinc/49/55/95/449495595.db2.gz CRYGRYMFIWNJSS-CABCVRRESA-N 2 2 332.448 1.901 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615537 449495599 /nfs/dbraw/zinc/49/55/99/449495599.db2.gz CRYGRYMFIWNJSS-CABCVRRESA-N 2 2 332.448 1.901 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000594440512 449519119 /nfs/dbraw/zinc/51/91/19/449519119.db2.gz DSMKUWZSNAOVBG-GOSISDBHSA-N 2 2 344.459 1.546 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c(-c2ccccc2)n1 ZINC000599010192 449697846 /nfs/dbraw/zinc/69/78/46/449697846.db2.gz RRLCUKWUNUCZAP-GOSISDBHSA-N 2 2 339.443 1.620 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c(-c2ccncc2)n1 ZINC000599018159 449699988 /nfs/dbraw/zinc/69/99/88/449699988.db2.gz FSVRCASOMJODOY-KRWDZBQOSA-N 2 2 340.431 1.015 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c(-c2ccncc2)n1 ZINC000599018159 449699994 /nfs/dbraw/zinc/69/99/94/449699994.db2.gz FSVRCASOMJODOY-KRWDZBQOSA-N 2 2 340.431 1.015 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602604598 449699957 /nfs/dbraw/zinc/69/99/57/449699957.db2.gz VLZMPMJGNBRJFJ-OAHLLOKOSA-N 2 2 347.488 1.662 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000603427378 450297418 /nfs/dbraw/zinc/29/74/18/450297418.db2.gz HKKVJHDRZFWSIC-GOSISDBHSA-N 2 2 346.450 1.584 20 30 EDEDLP C=CCn1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000648933801 453409372 /nfs/dbraw/zinc/40/93/72/453409372.db2.gz QGRNKUWEROXDIT-UHFFFAOYSA-N 2 2 346.479 1.096 20 30 EDEDLP C=CCn1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000648933801 453409388 /nfs/dbraw/zinc/40/93/88/453409388.db2.gz QGRNKUWEROXDIT-UHFFFAOYSA-N 2 2 346.479 1.096 20 30 EDEDLP COCC#CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000677818782 486175868 /nfs/dbraw/zinc/17/58/68/486175868.db2.gz IILLQPFHZUSADQ-UHFFFAOYSA-N 2 2 331.460 1.399 20 30 EDEDLP CC(C)NC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000101540833 529132782 /nfs/dbraw/zinc/13/27/82/529132782.db2.gz LTSGQTJBTPTMPL-UHFFFAOYSA-N 2 2 332.448 1.834 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000730097236 578614229 /nfs/dbraw/zinc/61/42/29/578614229.db2.gz JHBLRAZMUVQDOK-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000730097236 578614230 /nfs/dbraw/zinc/61/42/30/578614230.db2.gz JHBLRAZMUVQDOK-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730097236 578614231 /nfs/dbraw/zinc/61/42/31/578614231.db2.gz JHBLRAZMUVQDOK-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000730097236 578614232 /nfs/dbraw/zinc/61/42/32/578614232.db2.gz JHBLRAZMUVQDOK-OALUTQOASA-N 2 2 325.456 1.865 20 30 EDEDLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)CC1 ZINC000731212874 578670948 /nfs/dbraw/zinc/67/09/48/578670948.db2.gz NTCJBNSLYXPDMS-LJQANCHMSA-N 2 2 344.459 1.037 20 30 EDEDLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)CC1 ZINC000731212874 578670949 /nfs/dbraw/zinc/67/09/49/578670949.db2.gz NTCJBNSLYXPDMS-LJQANCHMSA-N 2 2 344.459 1.037 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)CC1 ZINC000748813560 579701096 /nfs/dbraw/zinc/70/10/96/579701096.db2.gz MZLLHYBDNLHIAY-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)CC1 ZINC000748813560 579701097 /nfs/dbraw/zinc/70/10/97/579701097.db2.gz MZLLHYBDNLHIAY-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000748815697 579701262 /nfs/dbraw/zinc/70/12/62/579701262.db2.gz FDVXALRALHFYDJ-FQEVSTJZSA-N 2 2 325.456 1.895 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCCO1 ZINC000775788905 580400353 /nfs/dbraw/zinc/40/03/53/580400353.db2.gz KFXCUAFEPPGSGU-SJORKVTESA-N 2 2 347.484 1.163 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661460 592270605 /nfs/dbraw/zinc/27/06/05/592270605.db2.gz QPNSFEDJWKFLEI-TXTJOAKRSA-N 2 2 344.503 1.991 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661460 592270609 /nfs/dbraw/zinc/27/06/09/592270609.db2.gz QPNSFEDJWKFLEI-TXTJOAKRSA-N 2 2 344.503 1.991 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000905463360 592542132 /nfs/dbraw/zinc/54/21/32/592542132.db2.gz ZPLIJJLHWCCGHH-ZWKOTPCHSA-N 2 2 340.471 1.701 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c(OC)c1 ZINC000905540360 592556536 /nfs/dbraw/zinc/55/65/36/592556536.db2.gz JIKDJBGAVFDPOG-OIISXLGYSA-N 2 2 334.460 1.846 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c(OC)c1 ZINC000905540360 592556538 /nfs/dbraw/zinc/55/65/38/592556538.db2.gz JIKDJBGAVFDPOG-OIISXLGYSA-N 2 2 334.460 1.846 20 30 EDEDLP C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847017518 595351594 /nfs/dbraw/zinc/35/15/94/595351594.db2.gz BZOQOZAJTKQNHT-IAGOWNOFSA-N 2 2 326.444 1.464 20 30 EDEDLP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847017518 595351597 /nfs/dbraw/zinc/35/15/97/595351597.db2.gz BZOQOZAJTKQNHT-IAGOWNOFSA-N 2 2 326.444 1.464 20 30 EDEDLP C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303661 596533148 /nfs/dbraw/zinc/53/31/48/596533148.db2.gz KUSRYRAKNSTDTD-KGLIPLIRSA-N 2 2 340.855 1.218 20 30 EDEDLP C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303661 596533152 /nfs/dbraw/zinc/53/31/52/596533152.db2.gz KUSRYRAKNSTDTD-KGLIPLIRSA-N 2 2 340.855 1.218 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591715 597648068 /nfs/dbraw/zinc/64/80/68/597648068.db2.gz SMZHXEMSPFAYIK-QFBILLFUSA-N 2 2 349.523 1.141 20 30 EDEDLP C=C(C)C[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000883249004 597693933 /nfs/dbraw/zinc/69/39/33/597693933.db2.gz PCKKQUAIEKTGEX-INIZCTEOSA-N 2 2 338.496 1.171 20 30 EDEDLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994504019 696941866 /nfs/dbraw/zinc/94/18/66/696941866.db2.gz GADJVIPZGJOCMV-YJBOKZPZSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994504019 696941869 /nfs/dbraw/zinc/94/18/69/696941869.db2.gz GADJVIPZGJOCMV-YJBOKZPZSA-N 2 2 337.427 1.924 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000995156906 701567489 /nfs/dbraw/zinc/56/74/89/701567489.db2.gz YAFFZROAGIDOBG-SJORKVTESA-N 2 2 337.427 1.899 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000939236804 699406068 /nfs/dbraw/zinc/40/60/68/699406068.db2.gz RPHDXTGKVMMQKF-IRXDYDNUSA-N 2 2 335.492 1.644 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000939622519 699759484 /nfs/dbraw/zinc/75/94/84/699759484.db2.gz LXUITCMROCULNF-FZKQIMNGSA-N 2 2 337.427 1.769 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850435 700935408 /nfs/dbraw/zinc/93/54/08/700935408.db2.gz FJCRDURNTYVGNT-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999169888 706599311 /nfs/dbraw/zinc/59/93/11/706599311.db2.gz WQUVKVBAVJNKFJ-GPANFISMSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999169888 706599313 /nfs/dbraw/zinc/59/93/13/706599313.db2.gz WQUVKVBAVJNKFJ-GPANFISMSA-N 2 2 343.899 1.819 20 30 EDEDLP C[NH+]1CCC(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001031948092 701522477 /nfs/dbraw/zinc/52/24/77/701522477.db2.gz RJWKCROOTNYGTB-UHFFFAOYSA-N 2 2 343.446 1.567 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996092412 702504272 /nfs/dbraw/zinc/50/42/72/702504272.db2.gz PRTRXEBDKOFNFK-DLBZAZTESA-N 2 2 335.492 1.500 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996092412 702504276 /nfs/dbraw/zinc/50/42/76/702504276.db2.gz PRTRXEBDKOFNFK-DLBZAZTESA-N 2 2 335.492 1.500 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000996686564 702993155 /nfs/dbraw/zinc/99/31/55/702993155.db2.gz UWPNYOLUHJMWPL-RDJZCZTQSA-N 2 2 344.459 1.722 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000996686564 702993157 /nfs/dbraw/zinc/99/31/57/702993157.db2.gz UWPNYOLUHJMWPL-RDJZCZTQSA-N 2 2 344.459 1.722 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997185704 703474534 /nfs/dbraw/zinc/47/45/34/703474534.db2.gz IHLWZKBVWMVBQL-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997412486 703668134 /nfs/dbraw/zinc/66/81/34/703668134.db2.gz AIFGEJNQLPMSQE-UHFFFAOYSA-N 2 2 341.390 1.675 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032478107 703707260 /nfs/dbraw/zinc/70/72/60/703707260.db2.gz XQWPMPVCZKSBIS-GBESFXJTSA-N 2 2 338.455 1.828 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032478107 703707261 /nfs/dbraw/zinc/70/72/61/703707261.db2.gz XQWPMPVCZKSBIS-GBESFXJTSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032478107 703707262 /nfs/dbraw/zinc/70/72/62/703707262.db2.gz XQWPMPVCZKSBIS-GBESFXJTSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032478107 703707263 /nfs/dbraw/zinc/70/72/63/703707263.db2.gz XQWPMPVCZKSBIS-GBESFXJTSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000921630262 703773319 /nfs/dbraw/zinc/77/33/19/703773319.db2.gz RKOLRAYZDGKALE-MRXNPFEDSA-N 2 2 327.432 1.057 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094404 704176585 /nfs/dbraw/zinc/17/65/85/704176585.db2.gz HJWAWHOWWYTLIL-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094404 704176586 /nfs/dbraw/zinc/17/65/86/704176586.db2.gz HJWAWHOWWYTLIL-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094404 704176589 /nfs/dbraw/zinc/17/65/89/704176589.db2.gz HJWAWHOWWYTLIL-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094404 704176590 /nfs/dbraw/zinc/17/65/90/704176590.db2.gz HJWAWHOWWYTLIL-PBHICJAKSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999397258 706891415 /nfs/dbraw/zinc/89/14/15/706891415.db2.gz LHRRLQVEWXADJA-WBVHZDCISA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999397258 706891417 /nfs/dbraw/zinc/89/14/17/706891417.db2.gz LHRRLQVEWXADJA-WBVHZDCISA-N 2 2 330.432 1.161 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999994562 707672934 /nfs/dbraw/zinc/67/29/34/707672934.db2.gz UQOSFJHAQAUMRZ-AEFFLSMTSA-N 2 2 335.492 1.787 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999994562 707672937 /nfs/dbraw/zinc/67/29/37/707672937.db2.gz UQOSFJHAQAUMRZ-AEFFLSMTSA-N 2 2 335.492 1.787 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2conc2C)C1 ZINC001034250833 709610367 /nfs/dbraw/zinc/61/03/67/709610367.db2.gz XFOSRSOGWIHBRT-MSOLQXFVSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2conc2C)C1 ZINC001034250833 709610369 /nfs/dbraw/zinc/61/03/69/709610369.db2.gz XFOSRSOGWIHBRT-MSOLQXFVSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2conc2C)C1 ZINC001034250833 709610373 /nfs/dbraw/zinc/61/03/73/709610373.db2.gz XFOSRSOGWIHBRT-MSOLQXFVSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2conc2C)C1 ZINC001034250833 709610376 /nfs/dbraw/zinc/61/03/76/709610376.db2.gz XFOSRSOGWIHBRT-MSOLQXFVSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404749 709952843 /nfs/dbraw/zinc/95/28/43/709952843.db2.gz LIBMOAHUGGYRRX-OAHLLOKOSA-N 2 2 330.432 1.488 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404749 709952845 /nfs/dbraw/zinc/95/28/45/709952845.db2.gz LIBMOAHUGGYRRX-OAHLLOKOSA-N 2 2 330.432 1.488 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC001032837181 710187430 /nfs/dbraw/zinc/18/74/30/710187430.db2.gz YWTGRZZHCPWLHI-FGTMMUONSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC001032837181 710187432 /nfs/dbraw/zinc/18/74/32/710187432.db2.gz YWTGRZZHCPWLHI-FGTMMUONSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032837181 710187435 /nfs/dbraw/zinc/18/74/35/710187435.db2.gz YWTGRZZHCPWLHI-FGTMMUONSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032837181 710187438 /nfs/dbraw/zinc/18/74/38/710187438.db2.gz YWTGRZZHCPWLHI-FGTMMUONSA-N 2 2 333.476 1.090 20 30 EDEDLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C[C@@]2(CCOC2)O1 ZINC000330151805 539501867 /nfs/dbraw/zinc/50/18/67/539501867.db2.gz LOWAFSKHJYRCJM-SJLPKXTDSA-N 2 2 339.480 1.697 20 30 EDEDLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C[C@@]2(CCOC2)O1 ZINC000330151805 539501871 /nfs/dbraw/zinc/50/18/71/539501871.db2.gz LOWAFSKHJYRCJM-SJLPKXTDSA-N 2 2 339.480 1.697 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000368914922 250201905 /nfs/dbraw/zinc/20/19/05/250201905.db2.gz RHMFNEORVXAVBA-HNNXBMFYSA-N 2 2 331.464 1.960 20 30 EDEDLP CN1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000424187059 252155945 /nfs/dbraw/zinc/15/59/45/252155945.db2.gz JPZURRGGTUHXSL-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP Cc1onc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000408149315 158281454 /nfs/dbraw/zinc/28/14/54/158281454.db2.gz HOXBYFNZXCYPAZ-ZDUSSCGKSA-N 2 2 345.447 1.024 20 30 EDEDLP Cc1onc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1C#N ZINC000408149315 158281456 /nfs/dbraw/zinc/28/14/56/158281456.db2.gz HOXBYFNZXCYPAZ-ZDUSSCGKSA-N 2 2 345.447 1.024 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000554798045 306198083 /nfs/dbraw/zinc/19/80/83/306198083.db2.gz OOPMWSVMQXFSAW-UHFFFAOYSA-N 2 2 335.473 1.798 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000162248984 442076886 /nfs/dbraw/zinc/07/68/86/442076886.db2.gz XTJSABGXEUOIAB-KRWDZBQOSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000162248984 442076892 /nfs/dbraw/zinc/07/68/92/442076892.db2.gz XTJSABGXEUOIAB-KRWDZBQOSA-N 2 2 342.443 1.175 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186204834 442485889 /nfs/dbraw/zinc/48/58/89/442485889.db2.gz IBWMASUAYRGHTJ-UHFFFAOYSA-N 2 2 328.460 1.853 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265476778 442787475 /nfs/dbraw/zinc/78/74/75/442787475.db2.gz JNATWOJVCVWJAC-INIZCTEOSA-N 2 2 326.400 1.901 20 30 EDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266523889 443155581 /nfs/dbraw/zinc/15/55/81/443155581.db2.gz ABXFMPGTHBEIHP-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266523889 443155586 /nfs/dbraw/zinc/15/55/86/443155586.db2.gz ABXFMPGTHBEIHP-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919244 443518080 /nfs/dbraw/zinc/51/80/80/443518080.db2.gz ZQCLUKAIXKNPAM-WMLDXEAASA-N 2 2 330.432 1.579 20 30 EDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919244 443518086 /nfs/dbraw/zinc/51/80/86/443518086.db2.gz ZQCLUKAIXKNPAM-WMLDXEAASA-N 2 2 330.432 1.579 20 30 EDEDLP CN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000538395701 320743049 /nfs/dbraw/zinc/74/30/49/320743049.db2.gz LSHKBHVKNHZLIG-GOSISDBHSA-N 2 2 326.444 1.733 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277432680 443986438 /nfs/dbraw/zinc/98/64/38/443986438.db2.gz QCDAVABPXASLIC-HOCLYGCPSA-N 2 2 336.505 1.543 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277432680 443986441 /nfs/dbraw/zinc/98/64/41/443986441.db2.gz QCDAVABPXASLIC-HOCLYGCPSA-N 2 2 336.505 1.543 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000295086261 444165256 /nfs/dbraw/zinc/16/52/56/444165256.db2.gz ULETVPJVIFEGRP-CYBMUJFWSA-N 2 2 326.437 1.835 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000295086261 444165260 /nfs/dbraw/zinc/16/52/60/444165260.db2.gz ULETVPJVIFEGRP-CYBMUJFWSA-N 2 2 326.437 1.835 20 30 EDEDLP C#Cc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000297406628 444285010 /nfs/dbraw/zinc/28/50/10/444285010.db2.gz RYOMLRRFRNKQEM-UHFFFAOYSA-N 2 2 328.460 1.493 20 30 EDEDLP C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000322058957 444338735 /nfs/dbraw/zinc/33/87/35/444338735.db2.gz LOINLCUGWPGVRF-HNNXBMFYSA-N 2 2 335.473 1.653 20 30 EDEDLP C[C@@H]1OCC[C@@]1(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329559603 444629559 /nfs/dbraw/zinc/62/95/59/444629559.db2.gz LYZVYKNIDALGJT-KBXCAEBGSA-N 2 2 338.496 1.616 20 30 EDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329966634 444791968 /nfs/dbraw/zinc/79/19/68/444791968.db2.gz RXUVCBBDEQMUCN-HZPDHXFCSA-N 2 2 348.495 1.355 20 30 EDEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329966634 444791974 /nfs/dbraw/zinc/79/19/74/444791974.db2.gz RXUVCBBDEQMUCN-HZPDHXFCSA-N 2 2 348.495 1.355 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000329955447 444785832 /nfs/dbraw/zinc/78/58/32/444785832.db2.gz KQSUIHMEAQYLFT-RBSFLKMASA-N 2 2 334.468 1.105 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000329955447 444785835 /nfs/dbraw/zinc/78/58/35/444785835.db2.gz KQSUIHMEAQYLFT-RBSFLKMASA-N 2 2 334.468 1.105 20 30 EDEDLP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000330741834 445121482 /nfs/dbraw/zinc/12/14/82/445121482.db2.gz PVFYTIJSOLKOHH-INIZCTEOSA-N 2 2 325.501 1.000 20 30 EDEDLP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000330741834 445121488 /nfs/dbraw/zinc/12/14/88/445121488.db2.gz PVFYTIJSOLKOHH-INIZCTEOSA-N 2 2 325.501 1.000 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346883523 445226958 /nfs/dbraw/zinc/22/69/58/445226958.db2.gz LZQSXKJUTZRMOG-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346883523 445226959 /nfs/dbraw/zinc/22/69/59/445226959.db2.gz LZQSXKJUTZRMOG-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346883523 445226960 /nfs/dbraw/zinc/22/69/60/445226960.db2.gz LZQSXKJUTZRMOG-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346883523 445226961 /nfs/dbraw/zinc/22/69/61/445226961.db2.gz LZQSXKJUTZRMOG-NJAFHUGGSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCSCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355100644 445443058 /nfs/dbraw/zinc/44/30/58/445443058.db2.gz HUJODBSATXWHRT-OAHLLOKOSA-N 2 2 340.537 1.716 20 30 EDEDLP C=CCSCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355100644 445443061 /nfs/dbraw/zinc/44/30/61/445443061.db2.gz HUJODBSATXWHRT-OAHLLOKOSA-N 2 2 340.537 1.716 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364842776 445960695 /nfs/dbraw/zinc/96/06/95/445960695.db2.gz BATZPTPTFNJFDK-IEBWSBKVSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364842776 445960697 /nfs/dbraw/zinc/96/06/97/445960697.db2.gz BATZPTPTFNJFDK-IEBWSBKVSA-N 2 2 337.508 1.842 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000367293665 446533948 /nfs/dbraw/zinc/53/39/48/446533948.db2.gz ZZVXBYKFXDCXLI-MOPGFXCFSA-N 2 2 340.471 1.922 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000367293665 446533952 /nfs/dbraw/zinc/53/39/52/446533952.db2.gz ZZVXBYKFXDCXLI-MOPGFXCFSA-N 2 2 340.471 1.922 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000367293668 446534172 /nfs/dbraw/zinc/53/41/72/446534172.db2.gz ZZVXBYKFXDCXLI-RTBURBONSA-N 2 2 340.471 1.922 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000367293668 446534176 /nfs/dbraw/zinc/53/41/76/446534176.db2.gz ZZVXBYKFXDCXLI-RTBURBONSA-N 2 2 340.471 1.922 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301554 446758079 /nfs/dbraw/zinc/75/80/79/446758079.db2.gz VCXYEMBAFANAIW-QBPKDAKJSA-N 2 2 336.480 1.178 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301554 446758082 /nfs/dbraw/zinc/75/80/82/446758082.db2.gz VCXYEMBAFANAIW-QBPKDAKJSA-N 2 2 336.480 1.178 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375514587 446865572 /nfs/dbraw/zinc/86/55/72/446865572.db2.gz YMSMFQWGYTVYDI-DVOMOZLQSA-N 2 2 334.489 1.389 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375514587 446865577 /nfs/dbraw/zinc/86/55/77/446865577.db2.gz YMSMFQWGYTVYDI-DVOMOZLQSA-N 2 2 334.489 1.389 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000424509361 446887332 /nfs/dbraw/zinc/88/73/32/446887332.db2.gz OTJPDPNGYOITMA-JQHSSLGASA-N 2 2 335.492 1.595 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000424509361 446887336 /nfs/dbraw/zinc/88/73/36/446887336.db2.gz OTJPDPNGYOITMA-JQHSSLGASA-N 2 2 335.492 1.595 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1C#N ZINC000530360993 447869800 /nfs/dbraw/zinc/86/98/00/447869800.db2.gz WIQRRXVLKARDCL-MRXNPFEDSA-N 2 2 330.480 1.597 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC000530360993 447869803 /nfs/dbraw/zinc/86/98/03/447869803.db2.gz WIQRRXVLKARDCL-MRXNPFEDSA-N 2 2 330.480 1.597 20 30 EDEDLP C#CC[N@H+](C)CCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491167146 447945966 /nfs/dbraw/zinc/94/59/66/447945966.db2.gz WNBGJCFCNVLUTD-UHFFFAOYSA-N 2 2 346.456 1.165 20 30 EDEDLP C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491167146 447945968 /nfs/dbraw/zinc/94/59/68/447945968.db2.gz WNBGJCFCNVLUTD-UHFFFAOYSA-N 2 2 346.456 1.165 20 30 EDEDLP N#CCCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496997876 448108645 /nfs/dbraw/zinc/10/86/45/448108645.db2.gz OIQHVYNSMPGHCZ-GOSISDBHSA-N 2 2 332.448 1.876 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000582772181 448333058 /nfs/dbraw/zinc/33/30/58/448333058.db2.gz NESPTDBKGVURCQ-LSDHHAIUSA-N 2 2 331.464 1.746 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000582772181 448333063 /nfs/dbraw/zinc/33/30/63/448333063.db2.gz NESPTDBKGVURCQ-LSDHHAIUSA-N 2 2 331.464 1.746 20 30 EDEDLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438179 449515984 /nfs/dbraw/zinc/51/59/84/449515984.db2.gz MZQWPWQGIZMITR-QGZVFWFLSA-N 2 2 344.459 1.751 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000594438231 449516823 /nfs/dbraw/zinc/51/68/23/449516823.db2.gz NLRWWMSQZPZLCH-HNNXBMFYSA-N 2 2 325.416 2.174 20 30 EDEDLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441694 449520706 /nfs/dbraw/zinc/52/07/06/449520706.db2.gz UZBBRRWBBYTSQP-INIZCTEOSA-N 2 2 333.436 1.347 20 30 EDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597158153 449843448 /nfs/dbraw/zinc/84/34/48/449843448.db2.gz NLJWRRMMFAXVGA-UHFFFAOYSA-N 2 2 326.444 1.448 20 30 EDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597158153 449843452 /nfs/dbraw/zinc/84/34/52/449843452.db2.gz NLJWRRMMFAXVGA-UHFFFAOYSA-N 2 2 326.444 1.448 20 30 EDEDLP CN(C(=O)CC1(C#N)CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597213929 449874924 /nfs/dbraw/zinc/87/49/24/449874924.db2.gz RKGBPSDNFDRNKE-QGZVFWFLSA-N 2 2 348.491 1.324 20 30 EDEDLP CN(C(=O)CC1(C#N)CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597213929 449874928 /nfs/dbraw/zinc/87/49/28/449874928.db2.gz RKGBPSDNFDRNKE-QGZVFWFLSA-N 2 2 348.491 1.324 20 30 EDEDLP N#Cc1ccc2[nH+]cc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)n2c1 ZINC000597236789 449888120 /nfs/dbraw/zinc/88/81/20/449888120.db2.gz SSTOREOJOGGUJC-KRWDZBQOSA-N 2 2 325.416 1.237 20 30 EDEDLP N#Cc1ccc2[nH+]cc(CN3CCC([N@H+]4CC[C@H](O)C4)CC3)n2c1 ZINC000597236789 449888123 /nfs/dbraw/zinc/88/81/23/449888123.db2.gz SSTOREOJOGGUJC-KRWDZBQOSA-N 2 2 325.416 1.237 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCC[NH2+]1 ZINC000638727548 451667755 /nfs/dbraw/zinc/66/77/55/451667755.db2.gz FLCHEGPOSJUBCO-HKUYNNGSSA-N 2 2 344.459 1.097 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC[NH2+]1 ZINC000638727548 451667758 /nfs/dbraw/zinc/66/77/58/451667758.db2.gz FLCHEGPOSJUBCO-HKUYNNGSSA-N 2 2 344.459 1.097 20 30 EDEDLP C=CC[C@@]1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCC[NH2+]1 ZINC000662793048 453527592 /nfs/dbraw/zinc/52/75/92/453527592.db2.gz DWRBBRXTGPCUBU-SFHVURJKSA-N 2 2 330.432 1.863 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000106339627 526591940 /nfs/dbraw/zinc/59/19/40/526591940.db2.gz AJEBQXRQNHAKSO-HOTGVXAUSA-N 2 2 338.496 1.435 20 30 EDEDLP CCC[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)CC1 ZINC000112358536 528197214 /nfs/dbraw/zinc/19/72/14/528197214.db2.gz RWHRASAKYHQYMJ-KRWDZBQOSA-N 2 2 349.523 1.239 20 30 EDEDLP CC(C)CNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264067044 535065275 /nfs/dbraw/zinc/06/52/75/535065275.db2.gz BOTWNCKVUBUYJN-UHFFFAOYSA-N 2 2 334.464 1.458 20 30 EDEDLP C[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000262661690 536335766 /nfs/dbraw/zinc/33/57/66/536335766.db2.gz LVMLUPMZXRRSDD-INIZCTEOSA-N 3 2 337.512 1.020 20 30 EDEDLP C=CCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000786438730 580670559 /nfs/dbraw/zinc/67/05/59/580670559.db2.gz VFQQVGMWGFICHH-SFHVURJKSA-N 2 2 333.476 1.686 20 30 EDEDLP C=CCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000786438730 580670560 /nfs/dbraw/zinc/67/05/60/580670560.db2.gz VFQQVGMWGFICHH-SFHVURJKSA-N 2 2 333.476 1.686 20 30 EDEDLP C#CCSCC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892991562 591249035 /nfs/dbraw/zinc/24/90/35/591249035.db2.gz HIFMKURLCHZZGW-UHFFFAOYSA-N 2 2 341.521 1.932 20 30 EDEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902987554 592094171 /nfs/dbraw/zinc/09/41/71/592094171.db2.gz ODLAAINBIGAANA-LNRIEFBSSA-N 2 2 341.459 1.687 20 30 EDEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902987554 592094174 /nfs/dbraw/zinc/09/41/74/592094174.db2.gz ODLAAINBIGAANA-LNRIEFBSSA-N 2 2 341.459 1.687 20 30 EDEDLP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000904099160 592425046 /nfs/dbraw/zinc/42/50/46/592425046.db2.gz LHNNJVRAYZWMAO-LIDHIPMTSA-N 2 2 343.431 1.602 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccsc3C#N)CC2)CC1 ZINC000906466403 592829172 /nfs/dbraw/zinc/82/91/72/592829172.db2.gz PDRMTGYGWJXEQW-UHFFFAOYSA-N 2 2 332.473 1.908 20 30 EDEDLP C=CCN1CCN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000840035103 593400634 /nfs/dbraw/zinc/40/06/34/593400634.db2.gz FWWJGCXTVZYVCN-JWTNVVGKSA-N 2 2 347.507 1.110 20 30 EDEDLP C=CCN1CCN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000840035103 593400636 /nfs/dbraw/zinc/40/06/36/593400636.db2.gz FWWJGCXTVZYVCN-JWTNVVGKSA-N 2 2 347.507 1.110 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000870907640 596398901 /nfs/dbraw/zinc/39/89/01/596398901.db2.gz MNUCVXZWYHAPPK-OALUTQOASA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870907640 596398907 /nfs/dbraw/zinc/39/89/07/596398907.db2.gz MNUCVXZWYHAPPK-OALUTQOASA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000870907640 596398912 /nfs/dbraw/zinc/39/89/12/596398912.db2.gz MNUCVXZWYHAPPK-OALUTQOASA-N 2 2 325.456 1.783 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC000870907640 596398916 /nfs/dbraw/zinc/39/89/16/596398916.db2.gz MNUCVXZWYHAPPK-OALUTQOASA-N 2 2 325.456 1.783 20 30 EDEDLP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000865532331 596602615 /nfs/dbraw/zinc/60/26/15/596602615.db2.gz YVNUSVBNRSEVKT-WOJBJXKFSA-N 2 2 344.455 1.668 20 30 EDEDLP N#Cc1ccccc1N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000873238686 597235741 /nfs/dbraw/zinc/23/57/41/597235741.db2.gz FBFGWCNQACEFCV-VQTJNVASSA-N 2 2 340.471 1.884 20 30 EDEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239474 597236039 /nfs/dbraw/zinc/23/60/39/597236039.db2.gz WZCOQMHBJCQALJ-YJBOKZPZSA-N 2 2 328.460 1.884 20 30 EDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939856336 699995071 /nfs/dbraw/zinc/99/50/71/699995071.db2.gz KVMHLOWKYGJAPS-CXAGYDPISA-N 2 2 341.390 1.531 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993335880 695991791 /nfs/dbraw/zinc/99/17/91/695991791.db2.gz KTXITRDIEZGZGI-RDJZCZTQSA-N 2 2 328.460 1.754 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993335880 695991792 /nfs/dbraw/zinc/99/17/92/695991792.db2.gz KTXITRDIEZGZGI-RDJZCZTQSA-N 2 2 328.460 1.754 20 30 EDEDLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](C#N)C2)([NH+]2CCCCC2)CC1 ZINC000920603571 697450986 /nfs/dbraw/zinc/45/09/86/697450986.db2.gz IQUUGFIIXQBJPW-KRWDZBQOSA-N 2 2 347.507 1.882 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944119939 702284069 /nfs/dbraw/zinc/28/40/69/702284069.db2.gz CKQWSXDTQLFBSL-RDJZCZTQSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944119939 702284072 /nfs/dbraw/zinc/28/40/72/702284072.db2.gz CKQWSXDTQLFBSL-RDJZCZTQSA-N 2 2 337.427 1.731 20 30 EDEDLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996354965 702732737 /nfs/dbraw/zinc/73/27/37/702732737.db2.gz KHMZOSWPJQFHLJ-OAHLLOKOSA-N 2 2 343.456 1.912 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000996858412 703142614 /nfs/dbraw/zinc/14/26/14/703142614.db2.gz HXQJCCRXGHTFHX-UHFFFAOYSA-N 2 2 343.456 1.987 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000921630261 703773375 /nfs/dbraw/zinc/77/33/75/703773375.db2.gz RKOLRAYZDGKALE-INIZCTEOSA-N 2 2 327.432 1.057 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997832330 704750592 /nfs/dbraw/zinc/75/05/92/704750592.db2.gz IGPFPJBKQOFQDQ-HNNXBMFYSA-N 2 2 337.427 1.731 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999690417 707247091 /nfs/dbraw/zinc/24/70/91/707247091.db2.gz XZWHDWAINVDQIK-UHFFFAOYSA-N 2 2 343.456 1.675 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@H+](C)C2)CC1=O ZINC000140769474 707263555 /nfs/dbraw/zinc/26/35/55/707263555.db2.gz SFWKGLYVEWUEAD-GFCCVEGCSA-N 2 2 325.416 1.350 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@@H+](C)C2)CC1=O ZINC000140769474 707263562 /nfs/dbraw/zinc/26/35/62/707263562.db2.gz SFWKGLYVEWUEAD-GFCCVEGCSA-N 2 2 325.416 1.350 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932924 709112667 /nfs/dbraw/zinc/11/26/67/709112667.db2.gz UNYOGGOVJGCPQF-HOTGVXAUSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932924 709112669 /nfs/dbraw/zinc/11/26/69/709112669.db2.gz UNYOGGOVJGCPQF-HOTGVXAUSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932924 709112670 /nfs/dbraw/zinc/11/26/70/709112670.db2.gz UNYOGGOVJGCPQF-HOTGVXAUSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932924 709112672 /nfs/dbraw/zinc/11/26/72/709112672.db2.gz UNYOGGOVJGCPQF-HOTGVXAUSA-N 2 2 343.899 1.771 20 30 EDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034216555 709571728 /nfs/dbraw/zinc/57/17/28/709571728.db2.gz IRAQTQIUPMQXTA-PBHICJAKSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034216555 709571731 /nfs/dbraw/zinc/57/17/31/709571731.db2.gz IRAQTQIUPMQXTA-PBHICJAKSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216555 709571734 /nfs/dbraw/zinc/57/17/34/709571734.db2.gz IRAQTQIUPMQXTA-PBHICJAKSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216555 709571738 /nfs/dbraw/zinc/57/17/38/709571738.db2.gz IRAQTQIUPMQXTA-PBHICJAKSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001003054861 709891759 /nfs/dbraw/zinc/89/17/59/709891759.db2.gz BKKRCDHPMAFWSP-KRWDZBQOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001003054861 709891762 /nfs/dbraw/zinc/89/17/62/709891762.db2.gz BKKRCDHPMAFWSP-KRWDZBQOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034663726 710333215 /nfs/dbraw/zinc/33/32/15/710333215.db2.gz JQCDCIIPRNTNMB-DZKIICNBSA-N 2 2 347.488 1.153 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034663726 710333218 /nfs/dbraw/zinc/33/32/18/710333218.db2.gz JQCDCIIPRNTNMB-DZKIICNBSA-N 2 2 347.488 1.153 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004151295 711568974 /nfs/dbraw/zinc/56/89/74/711568974.db2.gz KPSQJGSQGYCDME-UHFFFAOYSA-N 2 2 341.253 1.681 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610592 712064298 /nfs/dbraw/zinc/06/42/98/712064298.db2.gz SEDSHVXKMRDFAG-SFHVURJKSA-N 2 2 328.460 1.987 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610592 712064300 /nfs/dbraw/zinc/06/43/00/712064300.db2.gz SEDSHVXKMRDFAG-SFHVURJKSA-N 2 2 328.460 1.987 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001033155634 712181432 /nfs/dbraw/zinc/18/14/32/712181432.db2.gz YENDPKQUPPLVJC-AEFFLSMTSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001033155634 712181434 /nfs/dbraw/zinc/18/14/34/712181434.db2.gz YENDPKQUPPLVJC-AEFFLSMTSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033155634 712181437 /nfs/dbraw/zinc/18/14/37/712181437.db2.gz YENDPKQUPPLVJC-AEFFLSMTSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2c(C)noc2C)C1 ZINC001033155634 712181440 /nfs/dbraw/zinc/18/14/40/712181440.db2.gz YENDPKQUPPLVJC-AEFFLSMTSA-N 2 2 344.459 1.422 20 30 EDEDLP Cc1ncsc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000329127881 539413619 /nfs/dbraw/zinc/41/36/19/539413619.db2.gz VBIOETOXJDQYOB-UHFFFAOYSA-N 2 2 339.509 1.823 20 30 EDEDLP Cc1ncsc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329127881 539413621 /nfs/dbraw/zinc/41/36/21/539413621.db2.gz VBIOETOXJDQYOB-UHFFFAOYSA-N 2 2 339.509 1.823 20 30 EDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333602241 539636564 /nfs/dbraw/zinc/63/65/64/539636564.db2.gz MSRLRPHABKVMTP-JKSUJKDBSA-N 2 2 332.473 1.674 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000275554127 201283818 /nfs/dbraw/zinc/28/38/18/201283818.db2.gz GQQKEAVRWKHRSH-MRXNPFEDSA-N 2 2 346.479 1.069 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000490926156 255109832 /nfs/dbraw/zinc/10/98/32/255109832.db2.gz ZOVQRIWBDJUQOW-UHFFFAOYSA-N 2 2 331.847 1.696 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000491674180 255139306 /nfs/dbraw/zinc/13/93/06/255139306.db2.gz JZMVRSLSMRBZEA-IBGZPJMESA-N 2 2 343.471 1.113 20 30 EDEDLP C[N@H+](CCC(=O)Nc1sccc1C#N)C1CC[NH+](CCO)CC1 ZINC000357650392 151101781 /nfs/dbraw/zinc/10/17/81/151101781.db2.gz REJPJIGFDXADBQ-UHFFFAOYSA-N 2 2 336.461 1.337 20 30 EDEDLP C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC[NH+](CCO)CC1 ZINC000357650392 151101783 /nfs/dbraw/zinc/10/17/83/151101783.db2.gz REJPJIGFDXADBQ-UHFFFAOYSA-N 2 2 336.461 1.337 20 30 EDEDLP C[N@@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)C1 ZINC000378352400 158148169 /nfs/dbraw/zinc/14/81/69/158148169.db2.gz DCBQNQXVUVHXCV-KRWDZBQOSA-N 2 2 338.459 1.418 20 30 EDEDLP C[N@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)C1 ZINC000378352400 158148170 /nfs/dbraw/zinc/14/81/70/158148170.db2.gz DCBQNQXVUVHXCV-KRWDZBQOSA-N 2 2 338.459 1.418 20 30 EDEDLP C=CC[NH+](CC=C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052868801 441483168 /nfs/dbraw/zinc/48/31/68/441483168.db2.gz TXRGRYQIMPVHCS-UHFFFAOYSA-N 2 2 335.492 1.812 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000075709445 441550531 /nfs/dbraw/zinc/55/05/31/441550531.db2.gz FRWXBZSNIVYPDB-UHFFFAOYSA-N 2 2 328.338 1.407 20 30 EDEDLP C[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177115692 442299420 /nfs/dbraw/zinc/29/94/20/442299420.db2.gz IKMPHOQVENIRCG-HNNXBMFYSA-N 2 2 344.459 1.468 20 30 EDEDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C#N)cc3F)cn2)CC1 ZINC000177892048 442394212 /nfs/dbraw/zinc/39/42/12/442394212.db2.gz YKJFDPZFGLJEOS-UHFFFAOYSA-N 2 2 340.406 1.529 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156437559 442480863 /nfs/dbraw/zinc/48/08/63/442480863.db2.gz DNLNNXDVVIBWPH-CVEARBPZSA-N 2 2 328.420 1.422 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156437559 442480867 /nfs/dbraw/zinc/48/08/67/442480867.db2.gz DNLNNXDVVIBWPH-CVEARBPZSA-N 2 2 328.420 1.422 20 30 EDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524095 443156630 /nfs/dbraw/zinc/15/66/30/443156630.db2.gz AQOQQZNZSSZNJO-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524095 443156632 /nfs/dbraw/zinc/15/66/32/443156632.db2.gz AQOQQZNZSSZNJO-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524095 443156637 /nfs/dbraw/zinc/15/66/37/443156637.db2.gz AQOQQZNZSSZNJO-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc(C#N)cc1 ZINC000266524095 443156643 /nfs/dbraw/zinc/15/66/43/443156643.db2.gz AQOQQZNZSSZNJO-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267080901 443335742 /nfs/dbraw/zinc/33/57/42/443335742.db2.gz MUDGYDXURMYUEA-UHFFFAOYSA-N 2 2 344.440 1.935 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)[C@H]3CCCO3)CC2)cc1 ZINC000527758131 320523645 /nfs/dbraw/zinc/52/36/45/320523645.db2.gz UEJSPWBMRATTFC-RTBURBONSA-N 2 2 329.444 1.652 20 30 EDEDLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555254558 320964820 /nfs/dbraw/zinc/96/48/20/320964820.db2.gz DXVJHYAIUIWKAJ-RDTXWAMCSA-N 2 2 326.444 1.637 20 30 EDEDLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331250241 444457734 /nfs/dbraw/zinc/45/77/34/444457734.db2.gz SBEFABILFBXEMK-SNPRPXQTSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331250241 444457737 /nfs/dbraw/zinc/45/77/37/444457737.db2.gz SBEFABILFBXEMK-SNPRPXQTSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000331250241 444457739 /nfs/dbraw/zinc/45/77/39/444457739.db2.gz SBEFABILFBXEMK-SNPRPXQTSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000331250241 444457740 /nfs/dbraw/zinc/45/77/40/444457740.db2.gz SBEFABILFBXEMK-SNPRPXQTSA-N 2 2 333.436 1.055 20 30 EDEDLP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000329244986 444511145 /nfs/dbraw/zinc/51/11/45/444511145.db2.gz QHKWUSSEDYZDRK-OAHLLOKOSA-N 2 2 346.479 1.057 20 30 EDEDLP C=CCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168678 445070001 /nfs/dbraw/zinc/07/00/01/445070001.db2.gz JMGCVHGTKDPVLO-QZTJIDSGSA-N 2 2 337.508 1.985 20 30 EDEDLP C=CCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168678 445070005 /nfs/dbraw/zinc/07/00/05/445070005.db2.gz JMGCVHGTKDPVLO-QZTJIDSGSA-N 2 2 337.508 1.985 20 30 EDEDLP N#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738105 445476276 /nfs/dbraw/zinc/47/62/76/445476276.db2.gz HHZYTTQFASQLHM-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738105 445476278 /nfs/dbraw/zinc/47/62/78/445476278.db2.gz HHZYTTQFASQLHM-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355738105 445476282 /nfs/dbraw/zinc/47/62/82/445476282.db2.gz HHZYTTQFASQLHM-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738105 445476284 /nfs/dbraw/zinc/47/62/84/445476284.db2.gz HHZYTTQFASQLHM-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000360284412 445676725 /nfs/dbraw/zinc/67/67/25/445676725.db2.gz FXXGHOJCSZZBLW-CRAIPNDOSA-N 2 2 335.411 1.914 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000360284412 445676728 /nfs/dbraw/zinc/67/67/28/445676728.db2.gz FXXGHOJCSZZBLW-CRAIPNDOSA-N 2 2 335.411 1.914 20 30 EDEDLP C[C@H]1CN(C(=O)c2cccc(CC#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461283 446871795 /nfs/dbraw/zinc/87/17/95/446871795.db2.gz WUSBPLLXZNKVFT-INIZCTEOSA-N 2 2 340.471 1.993 20 30 EDEDLP C[C@H]1CN(C(=O)c2cccc(CC#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461283 446871803 /nfs/dbraw/zinc/87/18/03/446871803.db2.gz WUSBPLLXZNKVFT-INIZCTEOSA-N 2 2 340.471 1.993 20 30 EDEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765305 447032899 /nfs/dbraw/zinc/03/28/99/447032899.db2.gz VLFFRUSUQOJECU-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765305 447032908 /nfs/dbraw/zinc/03/29/08/447032908.db2.gz VLFFRUSUQOJECU-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765305 447032915 /nfs/dbraw/zinc/03/29/15/447032915.db2.gz VLFFRUSUQOJECU-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+](CC(=O)NCc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765305 447032919 /nfs/dbraw/zinc/03/29/19/447032919.db2.gz VLFFRUSUQOJECU-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524950 447109864 /nfs/dbraw/zinc/10/98/64/447109864.db2.gz WBCNFSAYQGFRMJ-HKUYNNGSSA-N 2 2 343.475 1.768 20 30 EDEDLP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524950 447109868 /nfs/dbraw/zinc/10/98/68/447109868.db2.gz WBCNFSAYQGFRMJ-HKUYNNGSSA-N 2 2 343.475 1.768 20 30 EDEDLP CN(CCC#N)C(=O)CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524950 447109873 /nfs/dbraw/zinc/10/98/73/447109873.db2.gz WBCNFSAYQGFRMJ-HKUYNNGSSA-N 2 2 343.475 1.768 20 30 EDEDLP CN(CCC#N)C(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524950 447109877 /nfs/dbraw/zinc/10/98/77/447109877.db2.gz WBCNFSAYQGFRMJ-HKUYNNGSSA-N 2 2 343.475 1.768 20 30 EDEDLP C[NH+]1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)[nH+]c2)CC1 ZINC000421335753 447135233 /nfs/dbraw/zinc/13/52/33/447135233.db2.gz UHDHHPRRKNHHJX-UHFFFAOYSA-N 2 2 325.391 2.456 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000491251983 447972184 /nfs/dbraw/zinc/97/21/84/447972184.db2.gz DOLUKVVUKJCUDX-INIZCTEOSA-N 2 2 343.475 1.511 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000491251983 447972189 /nfs/dbraw/zinc/97/21/89/447972189.db2.gz DOLUKVVUKJCUDX-INIZCTEOSA-N 2 2 343.475 1.511 20 30 EDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577840156 448398756 /nfs/dbraw/zinc/39/87/56/448398756.db2.gz RNIHZURUWYVXMZ-UWWQBHOKSA-N 2 2 342.443 1.410 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595609093 449076085 /nfs/dbraw/zinc/07/60/85/449076085.db2.gz GDIOOHFYYCDJEI-DLBZAZTESA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595609093 449076090 /nfs/dbraw/zinc/07/60/90/449076090.db2.gz GDIOOHFYYCDJEI-DLBZAZTESA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595609093 449076096 /nfs/dbraw/zinc/07/60/96/449076096.db2.gz GDIOOHFYYCDJEI-DLBZAZTESA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595609093 449076103 /nfs/dbraw/zinc/07/61/03/449076103.db2.gz GDIOOHFYYCDJEI-DLBZAZTESA-N 2 2 336.480 1.085 20 30 EDEDLP Cc1cc(NCC2([NH+](C)C)CC2)c(C#N)c(NCC2([NH+](C)C)CC2)[nH+]1 ZINC000596274137 449451030 /nfs/dbraw/zinc/45/10/30/449451030.db2.gz AIVOWEYTVWUWEI-UHFFFAOYSA-N 3 2 342.491 2.274 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600743597 449529760 /nfs/dbraw/zinc/52/97/60/449529760.db2.gz KFXKSEQHFAVEMX-OALUTQOASA-N 2 2 342.487 1.447 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600743597 449529766 /nfs/dbraw/zinc/52/97/66/449529766.db2.gz KFXKSEQHFAVEMX-OALUTQOASA-N 2 2 342.487 1.447 20 30 EDEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 ZINC000599320067 449889377 /nfs/dbraw/zinc/88/93/77/449889377.db2.gz QMYUSTKXZOMEHC-KRWDZBQOSA-N 2 2 344.459 1.583 20 30 EDEDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599396204 449942635 /nfs/dbraw/zinc/94/26/35/449942635.db2.gz HGZIIYSVXMDWKB-KRWDZBQOSA-N 2 2 344.459 1.583 20 30 EDEDLP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000595286912 450001604 /nfs/dbraw/zinc/00/16/04/450001604.db2.gz NOBVAJONVJFWRW-HDICACEKSA-N 2 2 342.487 1.785 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370795 452560584 /nfs/dbraw/zinc/56/05/84/452560584.db2.gz PIRGLFAIISXOCK-UAGQMJEPSA-N 2 2 336.480 1.188 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370795 452560594 /nfs/dbraw/zinc/56/05/94/452560594.db2.gz PIRGLFAIISXOCK-UAGQMJEPSA-N 2 2 336.480 1.188 20 30 EDEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCC[NH2+]1 ZINC000662755331 453492211 /nfs/dbraw/zinc/49/22/11/453492211.db2.gz FBVJYONOZRVYHU-APWZRJJASA-N 2 2 328.460 1.985 20 30 EDEDLP C=CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000662758264 453497133 /nfs/dbraw/zinc/49/71/33/453497133.db2.gz PQWVRDGFQIHEBY-HXUWFJFHSA-N 2 2 342.487 1.623 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000735425549 578883438 /nfs/dbraw/zinc/88/34/38/578883438.db2.gz BZOHGEVEARBPLN-UHFFFAOYSA-N 2 2 338.419 1.254 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000748809837 579700721 /nfs/dbraw/zinc/70/07/21/579700721.db2.gz LJTWMHBNTVBLIL-UHFFFAOYSA-N 2 2 339.483 1.719 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=S)Nc2ccccc2C#N)CC1 ZINC000749005497 579709811 /nfs/dbraw/zinc/70/98/11/579709811.db2.gz MJSPBQCVQXPCLH-UHFFFAOYSA-N 2 2 331.489 1.871 20 30 EDEDLP NC(=[NH+]OCc1cccnc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000774821736 580374865 /nfs/dbraw/zinc/37/48/65/580374865.db2.gz ZMTZMOJTJTVUBJ-UHFFFAOYSA-N 2 2 326.400 1.751 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1C#N ZINC000895597781 591819886 /nfs/dbraw/zinc/81/98/86/591819886.db2.gz LQINWEVQOQDJCU-HNNXBMFYSA-N 2 2 330.436 1.389 20 30 EDEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1C#N ZINC000895597781 591819888 /nfs/dbraw/zinc/81/98/88/591819888.db2.gz LQINWEVQOQDJCU-HNNXBMFYSA-N 2 2 330.436 1.389 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1ccccc1C#N ZINC000912386147 593089928 /nfs/dbraw/zinc/08/99/28/593089928.db2.gz BGKWHMNYSMRKPD-UHFFFAOYSA-N 2 2 338.402 1.650 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1ccccc1C#N ZINC000912386147 593089929 /nfs/dbraw/zinc/08/99/29/593089929.db2.gz BGKWHMNYSMRKPD-UHFFFAOYSA-N 2 2 338.402 1.650 20 30 EDEDLP C#CCOc1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000820983282 593935450 /nfs/dbraw/zinc/93/54/50/593935450.db2.gz OZCKANOQIXGILV-UHFFFAOYSA-N 2 2 332.448 1.704 20 30 EDEDLP C#CCOc1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000820983282 593935452 /nfs/dbraw/zinc/93/54/52/593935452.db2.gz OZCKANOQIXGILV-UHFFFAOYSA-N 2 2 332.448 1.704 20 30 EDEDLP Cc1nn(C)cc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025428 595004934 /nfs/dbraw/zinc/00/49/34/595004934.db2.gz VIJNGTLMYPMNQW-UHFFFAOYSA-N 2 2 343.431 1.398 20 30 EDEDLP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852100798 596043908 /nfs/dbraw/zinc/04/39/08/596043908.db2.gz JEKQFYVJPDIWNF-UYAOXDASSA-N 2 2 345.487 1.570 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000852724710 596233559 /nfs/dbraw/zinc/23/35/59/596233559.db2.gz KFHTWHPXHOCDST-SFHVURJKSA-N 2 2 325.456 1.426 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000852724710 596233561 /nfs/dbraw/zinc/23/35/61/596233561.db2.gz KFHTWHPXHOCDST-SFHVURJKSA-N 2 2 325.456 1.426 20 30 EDEDLP C=CCC[C@H](COc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000883180534 597679053 /nfs/dbraw/zinc/67/90/53/597679053.db2.gz FFQJPLJQCIPEAH-QGZVFWFLSA-N 2 2 331.460 1.764 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875869 700389062 /nfs/dbraw/zinc/38/90/62/700389062.db2.gz DIJLGKJKSFMTFO-SFHVURJKSA-N 2 2 335.492 1.502 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875869 700389066 /nfs/dbraw/zinc/38/90/66/700389066.db2.gz DIJLGKJKSFMTFO-SFHVURJKSA-N 2 2 335.492 1.502 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063324 702520101 /nfs/dbraw/zinc/52/01/01/702520101.db2.gz GNLMVPFLJNISGK-DOTOQJQBSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063324 702520102 /nfs/dbraw/zinc/52/01/02/702520102.db2.gz GNLMVPFLJNISGK-DOTOQJQBSA-N 2 2 328.460 1.612 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995250326 702963777 /nfs/dbraw/zinc/96/37/77/702963777.db2.gz NVOONMUWKSDUFX-KGLIPLIRSA-N 2 2 343.456 1.891 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997187577 703477111 /nfs/dbraw/zinc/47/71/11/703477111.db2.gz RGFZNQUVFQBJHQ-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998308102 705720961 /nfs/dbraw/zinc/72/09/61/705720961.db2.gz YAHZTAUFVURQTH-AAEUAGOBSA-N 2 2 330.354 1.816 20 30 EDEDLP C=C(C)C[NH2+]C1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000999498305 706996078 /nfs/dbraw/zinc/99/60/78/706996078.db2.gz NIUFEODLWJKQRS-UHFFFAOYSA-N 2 2 335.492 1.787 20 30 EDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999562953 707059419 /nfs/dbraw/zinc/05/94/19/707059419.db2.gz RWFZFTMYRCQQJP-LBPRGKRZSA-N 2 2 326.828 1.683 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033266024 707291093 /nfs/dbraw/zinc/29/10/93/707291093.db2.gz MIFSSZYCXHGZQK-GOSISDBHSA-N 2 2 337.427 1.796 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033266024 707291095 /nfs/dbraw/zinc/29/10/95/707291095.db2.gz MIFSSZYCXHGZQK-GOSISDBHSA-N 2 2 337.427 1.796 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCc2sccc2C1 ZINC001032798182 708075290 /nfs/dbraw/zinc/07/52/90/708075290.db2.gz UJNPJUNDBZKHKU-HOTGVXAUSA-N 2 2 331.485 1.967 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCc2sccc2C1 ZINC001032798182 708075291 /nfs/dbraw/zinc/07/52/91/708075291.db2.gz UJNPJUNDBZKHKU-HOTGVXAUSA-N 2 2 331.485 1.967 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCc2sccc2C1 ZINC001032798182 708075293 /nfs/dbraw/zinc/07/52/93/708075293.db2.gz UJNPJUNDBZKHKU-HOTGVXAUSA-N 2 2 331.485 1.967 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033620177 708351857 /nfs/dbraw/zinc/35/18/57/708351857.db2.gz OLUFYNMZLMKRET-GOSISDBHSA-N 2 2 336.439 1.845 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033620177 708351861 /nfs/dbraw/zinc/35/18/61/708351861.db2.gz OLUFYNMZLMKRET-GOSISDBHSA-N 2 2 336.439 1.845 20 30 EDEDLP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954308 709135598 /nfs/dbraw/zinc/13/55/98/709135598.db2.gz RYHLLOKGIQNDEI-HNNXBMFYSA-N 2 2 332.448 1.993 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954308 709135601 /nfs/dbraw/zinc/13/56/01/709135601.db2.gz RYHLLOKGIQNDEI-HNNXBMFYSA-N 2 2 332.448 1.993 20 30 EDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404747 709952635 /nfs/dbraw/zinc/95/26/35/709952635.db2.gz LIBMOAHUGGYRRX-HNNXBMFYSA-N 2 2 330.432 1.488 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034404747 709952637 /nfs/dbraw/zinc/95/26/37/709952637.db2.gz LIBMOAHUGGYRRX-HNNXBMFYSA-N 2 2 330.432 1.488 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001032837168 710187931 /nfs/dbraw/zinc/18/79/31/710187931.db2.gz VFOCSRFNLKNBHS-KURKYZTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001032837168 710187932 /nfs/dbraw/zinc/18/79/32/710187932.db2.gz VFOCSRFNLKNBHS-KURKYZTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032837168 710187933 /nfs/dbraw/zinc/18/79/33/710187933.db2.gz VFOCSRFNLKNBHS-KURKYZTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032837168 710187934 /nfs/dbraw/zinc/18/79/34/710187934.db2.gz VFOCSRFNLKNBHS-KURKYZTESA-N 2 2 333.476 1.091 20 30 EDEDLP CC1(C)CC[N@H+](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004543693 711954946 /nfs/dbraw/zinc/95/49/46/711954946.db2.gz QRJCMEISCYFASS-KRWDZBQOSA-N 2 2 332.492 1.945 20 30 EDEDLP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@@H]3CCC[NH+]3CC#N)CC2)C1 ZINC001004543693 711954947 /nfs/dbraw/zinc/95/49/47/711954947.db2.gz QRJCMEISCYFASS-KRWDZBQOSA-N 2 2 332.492 1.945 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004543693 711954948 /nfs/dbraw/zinc/95/49/48/711954948.db2.gz QRJCMEISCYFASS-KRWDZBQOSA-N 2 2 332.492 1.945 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004617918 712078322 /nfs/dbraw/zinc/07/83/22/712078322.db2.gz UJBNBOBXEYPTLV-SJLPKXTDSA-N 2 2 348.491 1.181 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004617918 712078323 /nfs/dbraw/zinc/07/83/23/712078323.db2.gz UJBNBOBXEYPTLV-SJLPKXTDSA-N 2 2 348.491 1.181 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644561 712151517 /nfs/dbraw/zinc/15/15/17/712151517.db2.gz HOHJZZMFBZOTSJ-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644561 712151519 /nfs/dbraw/zinc/15/15/19/712151519.db2.gz HOHJZZMFBZOTSJ-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000329124190 539412466 /nfs/dbraw/zinc/41/24/66/539412466.db2.gz SFBBLUWZDPMEGP-HZPDHXFCSA-N 2 2 326.485 1.331 20 30 EDEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000329124190 539412469 /nfs/dbraw/zinc/41/24/69/539412469.db2.gz SFBBLUWZDPMEGP-HZPDHXFCSA-N 2 2 326.485 1.331 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333580042 539635542 /nfs/dbraw/zinc/63/55/42/539635542.db2.gz REFRTCCZCRRYRM-LJQANCHMSA-N 2 2 332.492 1.945 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333580042 539635546 /nfs/dbraw/zinc/63/55/46/539635546.db2.gz REFRTCCZCRRYRM-LJQANCHMSA-N 2 2 332.492 1.945 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000246924897 291331546 /nfs/dbraw/zinc/33/15/46/291331546.db2.gz SSRWWRBTUOUYKQ-POZUXBRTSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000246924897 291331550 /nfs/dbraw/zinc/33/15/50/291331550.db2.gz SSRWWRBTUOUYKQ-POZUXBRTSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000246924897 291331551 /nfs/dbraw/zinc/33/15/51/291331551.db2.gz SSRWWRBTUOUYKQ-POZUXBRTSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000246924897 291331554 /nfs/dbraw/zinc/33/15/54/291331554.db2.gz SSRWWRBTUOUYKQ-POZUXBRTSA-N 2 2 330.476 1.744 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCN(C)c3ccccc32)CC1 ZINC000491703688 255143907 /nfs/dbraw/zinc/14/39/07/255143907.db2.gz NYFVPTRLAXOZNV-SFHVURJKSA-N 2 2 340.471 1.325 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000491809064 255148474 /nfs/dbraw/zinc/14/84/74/255148474.db2.gz WQVYXIDFMGNUPF-MSOLQXFVSA-N 2 2 345.487 1.045 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000491809064 255148475 /nfs/dbraw/zinc/14/84/75/255148475.db2.gz WQVYXIDFMGNUPF-MSOLQXFVSA-N 2 2 345.487 1.045 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H](CO)O3)CC2)cc1 ZINC000340420310 142385627 /nfs/dbraw/zinc/38/56/27/142385627.db2.gz WTDYNZYAXCDKPZ-RBUKOAKNSA-N 2 2 329.444 1.652 20 30 EDEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c(C#N)c1C ZINC000357644379 151097710 /nfs/dbraw/zinc/09/77/10/151097710.db2.gz DCXOBRKIRSWQOY-CYBMUJFWSA-N 2 2 348.447 1.484 20 30 EDEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c(C#N)c1C ZINC000357644379 151097713 /nfs/dbraw/zinc/09/77/13/151097713.db2.gz DCXOBRKIRSWQOY-CYBMUJFWSA-N 2 2 348.447 1.484 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000057155748 441093663 /nfs/dbraw/zinc/09/36/63/441093663.db2.gz CJIVIVRLJFWPRC-UHFFFAOYSA-N 2 2 336.439 1.893 20 30 EDEDLP N#CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CC1 ZINC000081063051 441228478 /nfs/dbraw/zinc/22/84/78/441228478.db2.gz UIKTYLZLMAIGOU-UHFFFAOYSA-N 2 2 341.459 1.746 20 30 EDEDLP N#CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CC1 ZINC000081063051 441228482 /nfs/dbraw/zinc/22/84/82/441228482.db2.gz UIKTYLZLMAIGOU-UHFFFAOYSA-N 2 2 341.459 1.746 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000173643956 441813794 /nfs/dbraw/zinc/81/37/94/441813794.db2.gz SVROGVNJLVMIHL-AWEZNQCLSA-N 2 2 330.432 1.586 20 30 EDEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718333 441957937 /nfs/dbraw/zinc/95/79/37/441957937.db2.gz WSHLZTCNUCXVMF-INIZCTEOSA-N 2 2 343.475 1.455 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161346348 441988355 /nfs/dbraw/zinc/98/83/55/441988355.db2.gz YOFDUKOUUWRKRP-INIZCTEOSA-N 2 2 341.459 1.935 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157755227 442610548 /nfs/dbraw/zinc/61/05/48/442610548.db2.gz YFGFETJLJLPINO-HNNXBMFYSA-N 2 2 345.491 1.375 20 30 EDEDLP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963952 443176043 /nfs/dbraw/zinc/17/60/43/443176043.db2.gz LAUUVTQVQUNQDP-CZUORRHYSA-N 2 2 329.452 1.963 20 30 EDEDLP C[NH+]=C(NCC(=O)OC(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261990080 443178450 /nfs/dbraw/zinc/17/84/50/443178450.db2.gz RCOCMFNTWCPHJR-KBPBESRZSA-N 2 2 335.452 1.683 20 30 EDEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](O)C[NH+]1CCOCC1 ZINC000264150954 443252448 /nfs/dbraw/zinc/25/24/48/443252448.db2.gz ZDCJXTGPWHPIAQ-INIZCTEOSA-N 2 2 334.464 1.231 20 30 EDEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000276568597 443749413 /nfs/dbraw/zinc/74/94/13/443749413.db2.gz BMUDXSLHXVKPCP-QUCCMNQESA-N 2 2 338.455 1.869 20 30 EDEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000276568597 443749415 /nfs/dbraw/zinc/74/94/15/443749415.db2.gz BMUDXSLHXVKPCP-QUCCMNQESA-N 2 2 338.455 1.869 20 30 EDEDLP C=CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccco1 ZINC000285940561 444159005 /nfs/dbraw/zinc/15/90/05/444159005.db2.gz DKRGCWSPOWMJAJ-IAGOWNOFSA-N 2 2 347.459 1.810 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331689343 444482272 /nfs/dbraw/zinc/48/22/72/444482272.db2.gz SXEHXUMWTVHWQR-HOCLYGCPSA-N 2 2 332.473 1.674 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000329943420 444779242 /nfs/dbraw/zinc/77/92/42/444779242.db2.gz DOWFJSUJUBOHRK-YCPHGPKFSA-N 2 2 346.479 1.248 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000329943420 444779247 /nfs/dbraw/zinc/77/92/47/444779247.db2.gz DOWFJSUJUBOHRK-YCPHGPKFSA-N 2 2 346.479 1.248 20 30 EDEDLP CCN1CCN(C(=O)NC2CC[NH+](CC)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329943408 444779655 /nfs/dbraw/zinc/77/96/55/444779655.db2.gz DNVQTGZBXCNTMK-HNNXBMFYSA-N 2 2 334.468 1.487 20 30 EDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000330331815 444940195 /nfs/dbraw/zinc/94/01/95/444940195.db2.gz OJGZVRNTNICBML-WWGRRREGSA-N 2 2 333.436 1.381 20 30 EDEDLP CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000343043933 445025396 /nfs/dbraw/zinc/02/53/96/445025396.db2.gz RGUHHJXUVVGBQN-SFHVURJKSA-N 2 2 328.460 1.933 20 30 EDEDLP CC#CC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339750533 445166449 /nfs/dbraw/zinc/16/64/49/445166449.db2.gz DCGNNQRKFCOYRC-QGZVFWFLSA-N 2 2 343.471 1.479 20 30 EDEDLP CC#CC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339750533 445166451 /nfs/dbraw/zinc/16/64/51/445166451.db2.gz DCGNNQRKFCOYRC-QGZVFWFLSA-N 2 2 343.471 1.479 20 30 EDEDLP C=CCNC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337628144 445175682 /nfs/dbraw/zinc/17/56/82/445175682.db2.gz LXTQJCCPSRFCHJ-UHFFFAOYSA-N 2 2 339.443 1.292 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704195 445349526 /nfs/dbraw/zinc/34/95/26/445349526.db2.gz GNUMPNWUYANJQH-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704195 445349529 /nfs/dbraw/zinc/34/95/29/445349529.db2.gz GNUMPNWUYANJQH-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704195 445349531 /nfs/dbraw/zinc/34/95/31/445349531.db2.gz GNUMPNWUYANJQH-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000348704195 445349534 /nfs/dbraw/zinc/34/95/34/445349534.db2.gz GNUMPNWUYANJQH-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000362706614 445510694 /nfs/dbraw/zinc/51/06/94/445510694.db2.gz QTFGFZAAWFSPLM-DUMMIQTOSA-N 2 2 338.455 1.856 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3cccc(C#N)c3)C2)CC1 ZINC000362706614 445510699 /nfs/dbraw/zinc/51/06/99/445510699.db2.gz QTFGFZAAWFSPLM-DUMMIQTOSA-N 2 2 338.455 1.856 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000369076090 445913333 /nfs/dbraw/zinc/91/33/33/445913333.db2.gz QUZRIQIEUHOBJM-UHFFFAOYSA-N 2 2 340.431 1.717 20 30 EDEDLP CO[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000359402017 446202244 /nfs/dbraw/zinc/20/22/44/446202244.db2.gz UCDYBQSXLQTIQO-IBGZPJMESA-N 2 2 329.444 1.918 20 30 EDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC000371382192 446821280 /nfs/dbraw/zinc/82/12/80/446821280.db2.gz YHNQMPMCHLFGBC-OAHLLOKOSA-N 2 2 334.489 1.458 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459026763 447543609 /nfs/dbraw/zinc/54/36/09/447543609.db2.gz MIDKMPWRGLEGJM-OIISXLGYSA-N 2 2 336.480 1.140 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459026763 447543616 /nfs/dbraw/zinc/54/36/16/447543616.db2.gz MIDKMPWRGLEGJM-OIISXLGYSA-N 2 2 336.480 1.140 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000530335573 447862194 /nfs/dbraw/zinc/86/21/94/447862194.db2.gz OSIHSBNQGBEFHB-HLLBOEOZSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000530335573 447862198 /nfs/dbraw/zinc/86/21/98/447862198.db2.gz OSIHSBNQGBEFHB-HLLBOEOZSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000530335573 447862201 /nfs/dbraw/zinc/86/22/01/447862201.db2.gz OSIHSBNQGBEFHB-HLLBOEOZSA-N 2 2 330.476 1.886 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000530335573 447862206 /nfs/dbraw/zinc/86/22/06/447862206.db2.gz OSIHSBNQGBEFHB-HLLBOEOZSA-N 2 2 330.476 1.886 20 30 EDEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000491394461 448012464 /nfs/dbraw/zinc/01/24/64/448012464.db2.gz MIQLMOIMNKCRIJ-QGZVFWFLSA-N 2 2 341.415 1.962 20 30 EDEDLP C#CC[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000491394461 448012469 /nfs/dbraw/zinc/01/24/69/448012469.db2.gz MIQLMOIMNKCRIJ-QGZVFWFLSA-N 2 2 341.415 1.962 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000491792737 448126016 /nfs/dbraw/zinc/12/60/16/448126016.db2.gz HFCIMFYCOVNVKN-SFHVURJKSA-N 2 2 329.444 1.561 20 30 EDEDLP CC(C)(CNC(=O)C[NH+]1CCC(CCC#N)CC1)[NH+]1CCOCC1 ZINC000563885786 448317046 /nfs/dbraw/zinc/31/70/46/448317046.db2.gz VSGYMLNATYPHNP-UHFFFAOYSA-N 2 2 336.480 1.229 20 30 EDEDLP C=C(C)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609296 448589724 /nfs/dbraw/zinc/58/97/24/448589724.db2.gz ZJDOSTOCDXARDY-XJKSGUPXSA-N 2 2 338.402 1.866 20 30 EDEDLP C=C(C)[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609296 448589727 /nfs/dbraw/zinc/58/97/27/448589727.db2.gz ZJDOSTOCDXARDY-XJKSGUPXSA-N 2 2 338.402 1.866 20 30 EDEDLP C=C(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609293 448590645 /nfs/dbraw/zinc/59/06/45/448590645.db2.gz ZJDOSTOCDXARDY-BBRMVZONSA-N 2 2 338.402 1.866 20 30 EDEDLP C=C(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609293 448590652 /nfs/dbraw/zinc/59/06/52/448590652.db2.gz ZJDOSTOCDXARDY-BBRMVZONSA-N 2 2 338.402 1.866 20 30 EDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000573455308 448632098 /nfs/dbraw/zinc/63/20/98/448632098.db2.gz GKHDWSWGGBBQIJ-OAHLLOKOSA-N 2 2 335.423 1.853 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336300 449022356 /nfs/dbraw/zinc/02/23/56/449022356.db2.gz FTGRGDVQBKEVBX-KGLIPLIRSA-N 2 2 345.447 1.409 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336300 449022358 /nfs/dbraw/zinc/02/23/58/449022358.db2.gz FTGRGDVQBKEVBX-KGLIPLIRSA-N 2 2 345.447 1.409 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593885674 449263263 /nfs/dbraw/zinc/26/32/63/449263263.db2.gz KJXULFDQVZIOLN-UHFFFAOYSA-N 2 2 337.427 1.615 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533559 449325088 /nfs/dbraw/zinc/32/50/88/449325088.db2.gz NTTPNGLGBSKUEF-QAPCUYQASA-N 2 2 329.448 1.647 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000594440587 449519981 /nfs/dbraw/zinc/51/99/81/449519981.db2.gz GECVEURJWHKZPK-ZWKOTPCHSA-N 2 2 344.459 1.587 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC000595516934 450201455 /nfs/dbraw/zinc/20/14/55/450201455.db2.gz QPSYNUIBFULSMV-HZPDHXFCSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC000595516934 450201462 /nfs/dbraw/zinc/20/14/62/450201462.db2.gz QPSYNUIBFULSMV-HZPDHXFCSA-N 2 2 333.480 1.490 20 30 EDEDLP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C#N ZINC000618751953 450292759 /nfs/dbraw/zinc/29/27/59/450292759.db2.gz JTHRQCDBXFMEQK-SFHVURJKSA-N 2 2 326.444 1.781 20 30 EDEDLP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C#N ZINC000618751953 450292763 /nfs/dbraw/zinc/29/27/63/450292763.db2.gz JTHRQCDBXFMEQK-SFHVURJKSA-N 2 2 326.444 1.781 20 30 EDEDLP N#Cc1csc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000603427386 450297763 /nfs/dbraw/zinc/29/77/63/450297763.db2.gz HOFROYRFWOGOBU-INIZCTEOSA-N 2 2 334.489 1.506 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000610946942 450389400 /nfs/dbraw/zinc/38/94/00/450389400.db2.gz KTVSVOJTYCJCPO-QGZVFWFLSA-N 2 2 332.423 1.193 20 30 EDEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619436020 450473286 /nfs/dbraw/zinc/47/32/86/450473286.db2.gz KCNSOJQJQLOUIW-KRWDZBQOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619436020 450473290 /nfs/dbraw/zinc/47/32/90/450473290.db2.gz KCNSOJQJQLOUIW-KRWDZBQOSA-N 2 2 327.432 1.194 20 30 EDEDLP C=CC[C@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC[NH2+]1 ZINC000662674584 453390640 /nfs/dbraw/zinc/39/06/40/453390640.db2.gz CYLXSLOJFSONDB-GOSISDBHSA-N 2 2 330.432 1.233 20 30 EDEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000661116031 453719316 /nfs/dbraw/zinc/71/93/16/453719316.db2.gz GZPGTRPYSLTGEJ-SJORKVTESA-N 2 2 337.508 1.938 20 30 EDEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000661116029 453719478 /nfs/dbraw/zinc/71/94/78/453719478.db2.gz GZPGTRPYSLTGEJ-IAGOWNOFSA-N 2 2 337.508 1.938 20 30 EDEDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NC3CCCC3)CC2)cc1 ZINC000264064833 536696025 /nfs/dbraw/zinc/69/60/25/536696025.db2.gz ASGULGDKQJHSKU-UHFFFAOYSA-N 2 2 345.491 1.664 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000759434739 580005775 /nfs/dbraw/zinc/00/57/75/580005775.db2.gz DGZKWXNISYOQGQ-DLBZAZTESA-N 2 2 335.492 1.337 20 30 EDEDLP Cc1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000736300007 578975226 /nfs/dbraw/zinc/97/52/26/578975226.db2.gz ZCWHPPKZUCGEKA-UHFFFAOYSA-N 2 2 330.388 1.652 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)Cc2ccc(OC)cc2)CC1 ZINC000748816683 579701353 /nfs/dbraw/zinc/70/13/53/579701353.db2.gz VBQONXZPFMPIAE-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)Cc2ccc(OC)cc2)CC1 ZINC000748816683 579701354 /nfs/dbraw/zinc/70/13/54/579701354.db2.gz VBQONXZPFMPIAE-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000755073044 579919366 /nfs/dbraw/zinc/91/93/66/579919366.db2.gz VLZZZETXCZMNDC-PMACEKPBSA-N 2 2 339.483 1.765 20 30 EDEDLP Cc1cc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)nc(C)n1 ZINC000755648272 579931738 /nfs/dbraw/zinc/93/17/38/579931738.db2.gz LPGJFOVUBPZEMN-UHFFFAOYSA-N 2 2 326.408 1.081 20 30 EDEDLP Cc1ccn(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(=O)c1C#N ZINC000758223728 579977487 /nfs/dbraw/zinc/97/74/87/579977487.db2.gz QIBIXCXIICGUAC-UHFFFAOYSA-N 2 2 344.459 1.420 20 30 EDEDLP COc1ccc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)nc1 ZINC000780268251 580517270 /nfs/dbraw/zinc/51/72/70/580517270.db2.gz HDEJFLBDENZZCM-UHFFFAOYSA-N 2 2 327.392 1.078 20 30 EDEDLP Cn1nccc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000781154089 580543383 /nfs/dbraw/zinc/54/33/83/580543383.db2.gz GRDCZVAUUSFTMG-UHFFFAOYSA-N 2 2 329.404 1.089 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000794578625 580898373 /nfs/dbraw/zinc/89/83/73/580898373.db2.gz BTXUFMLGGRUMJA-GOSISDBHSA-N 2 2 345.487 1.522 20 30 EDEDLP C#CC(C)(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000794578625 580898374 /nfs/dbraw/zinc/89/83/74/580898374.db2.gz BTXUFMLGGRUMJA-GOSISDBHSA-N 2 2 345.487 1.522 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000895807303 591277642 /nfs/dbraw/zinc/27/76/42/591277642.db2.gz NRKFVBDRYNUEKK-HNNXBMFYSA-N 2 2 329.448 1.195 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000895807303 591277643 /nfs/dbraw/zinc/27/76/43/591277643.db2.gz NRKFVBDRYNUEKK-HNNXBMFYSA-N 2 2 329.448 1.195 20 30 EDEDLP C[NH+](C)CCOc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895067943 591563135 /nfs/dbraw/zinc/56/31/35/591563135.db2.gz AUTDGTKLZUGCJP-UHFFFAOYSA-N 2 2 330.432 1.185 20 30 EDEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730023 592446513 /nfs/dbraw/zinc/44/65/13/592446513.db2.gz VBWOQNPKSBGWJV-QWRGUYRKSA-N 2 2 339.237 1.337 20 30 EDEDLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1cccnc1 ZINC000905550414 592572796 /nfs/dbraw/zinc/57/27/96/592572796.db2.gz ITSSLRCPEIHJML-ROUUACIJSA-N 2 2 346.475 1.735 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000905682126 592611181 /nfs/dbraw/zinc/61/11/81/592611181.db2.gz XTTXYEUDFZGTSY-QGZVFWFLSA-N 2 2 325.420 1.710 20 30 EDEDLP C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000839469251 593303557 /nfs/dbraw/zinc/30/35/57/593303557.db2.gz CZFROOVSMKWXPD-INIZCTEOSA-N 2 2 331.435 1.814 20 30 EDEDLP C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000839469251 593303560 /nfs/dbraw/zinc/30/35/60/593303560.db2.gz CZFROOVSMKWXPD-INIZCTEOSA-N 2 2 331.435 1.814 20 30 EDEDLP CN1CCC[NH+]=C1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000849110759 595483653 /nfs/dbraw/zinc/48/36/53/595483653.db2.gz ADGXIWCHDGRSAJ-UHFFFAOYSA-N 2 2 343.519 1.866 20 30 EDEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852752000 596237838 /nfs/dbraw/zinc/23/78/38/596237838.db2.gz RATRINOKDITXRP-UHFFFAOYSA-N 2 2 343.471 1.303 20 30 EDEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000852752000 596237839 /nfs/dbraw/zinc/23/78/39/596237839.db2.gz RATRINOKDITXRP-UHFFFAOYSA-N 2 2 343.471 1.303 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864659137 596299810 /nfs/dbraw/zinc/29/98/10/596299810.db2.gz CMCLGTJHURYOTL-KRWDZBQOSA-N 2 2 339.399 1.049 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864659137 596299813 /nfs/dbraw/zinc/29/98/13/596299813.db2.gz CMCLGTJHURYOTL-KRWDZBQOSA-N 2 2 339.399 1.049 20 30 EDEDLP C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303660 596533072 /nfs/dbraw/zinc/53/30/72/596533072.db2.gz KUSRYRAKNSTDTD-KBPBESRZSA-N 2 2 340.855 1.218 20 30 EDEDLP C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000865303660 596533075 /nfs/dbraw/zinc/53/30/75/596533075.db2.gz KUSRYRAKNSTDTD-KBPBESRZSA-N 2 2 340.855 1.218 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000883131016 597660904 /nfs/dbraw/zinc/66/09/04/597660904.db2.gz BFFKNAQNDLZVDP-UHFFFAOYSA-N 2 2 329.853 1.032 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000883131016 597660907 /nfs/dbraw/zinc/66/09/07/597660907.db2.gz BFFKNAQNDLZVDP-UHFFFAOYSA-N 2 2 329.853 1.032 20 30 EDEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569238 597966782 /nfs/dbraw/zinc/96/67/82/597966782.db2.gz IMQTWCGQLLDANB-KRWDZBQOSA-N 2 2 325.416 1.976 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000884049079 597978249 /nfs/dbraw/zinc/97/82/49/597978249.db2.gz FMOPQLKOBHBMID-JKSUJKDBSA-N 2 2 334.489 1.748 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000884049079 597978251 /nfs/dbraw/zinc/97/82/51/597978251.db2.gz FMOPQLKOBHBMID-JKSUJKDBSA-N 2 2 334.489 1.748 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000914168114 695254600 /nfs/dbraw/zinc/25/46/00/695254600.db2.gz FHELDQISTQEAOH-UHFFFAOYSA-N 2 2 329.448 1.159 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939213389 699362872 /nfs/dbraw/zinc/36/28/72/699362872.db2.gz CWQSLLMASKDLKL-PXAZEXFGSA-N 2 2 341.390 1.600 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941594925 701587083 /nfs/dbraw/zinc/58/70/83/701587083.db2.gz CZAPUSVXGXQBRD-LJQANCHMSA-N 2 2 346.519 1.101 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587267 701591146 /nfs/dbraw/zinc/59/11/46/701591146.db2.gz NTWZBHJDIYEGTJ-MRXNPFEDSA-N 2 2 331.464 1.239 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939408262 699562911 /nfs/dbraw/zinc/56/29/11/699562911.db2.gz MYQAWXKAFPLGAL-LRDDRELGSA-N 2 2 341.390 1.600 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850856 700952143 /nfs/dbraw/zinc/95/21/43/700952143.db2.gz ORZSRKMCFOGTDQ-YOEHRIQHSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940850856 700952145 /nfs/dbraw/zinc/95/21/45/700952145.db2.gz ORZSRKMCFOGTDQ-YOEHRIQHSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850856 700952146 /nfs/dbraw/zinc/95/21/46/700952146.db2.gz ORZSRKMCFOGTDQ-YOEHRIQHSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940850856 700952148 /nfs/dbraw/zinc/95/21/48/700952148.db2.gz ORZSRKMCFOGTDQ-YOEHRIQHSA-N 2 2 328.460 1.673 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810894 701203939 /nfs/dbraw/zinc/20/39/39/701203939.db2.gz YXPWQWHXXRRSBE-BBRMVZONSA-N 2 2 343.456 1.843 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810894 701203941 /nfs/dbraw/zinc/20/39/41/701203941.db2.gz YXPWQWHXXRRSBE-BBRMVZONSA-N 2 2 343.456 1.843 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031978179 701994390 /nfs/dbraw/zinc/99/43/90/701994390.db2.gz PXZDQZBRUMABHS-RDTXWAMCSA-N 2 2 326.444 1.304 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031978179 701994394 /nfs/dbraw/zinc/99/43/94/701994394.db2.gz PXZDQZBRUMABHS-RDTXWAMCSA-N 2 2 326.444 1.304 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996092415 702504169 /nfs/dbraw/zinc/50/41/69/702504169.db2.gz PRTRXEBDKOFNFK-IRXDYDNUSA-N 2 2 335.492 1.500 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996092415 702504173 /nfs/dbraw/zinc/50/41/73/702504173.db2.gz PRTRXEBDKOFNFK-IRXDYDNUSA-N 2 2 335.492 1.500 20 30 EDEDLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001032443596 703620064 /nfs/dbraw/zinc/62/00/64/703620064.db2.gz YZZXMRYOGCSEQW-ROUUACIJSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCC1 ZINC001032443596 703620065 /nfs/dbraw/zinc/62/00/65/703620065.db2.gz YZZXMRYOGCSEQW-ROUUACIJSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998123214 705377086 /nfs/dbraw/zinc/37/70/86/705377086.db2.gz AEBUUITUADEZCX-GVDBMIGSSA-N 2 2 328.460 1.860 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998123214 705377090 /nfs/dbraw/zinc/37/70/90/705377090.db2.gz AEBUUITUADEZCX-GVDBMIGSSA-N 2 2 328.460 1.860 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C(F)(F)F ZINC000998279466 705669309 /nfs/dbraw/zinc/66/93/09/705669309.db2.gz WYMMIZFEYCFYBI-STQMWFEESA-N 2 2 344.381 1.908 20 30 EDEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044795044 707426943 /nfs/dbraw/zinc/42/69/43/707426943.db2.gz ZMDBAEQLIDHVLW-PBHICJAKSA-N 2 2 337.427 1.993 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685200 708498952 /nfs/dbraw/zinc/49/89/52/708498952.db2.gz PBKMAINUKURSBC-INIZCTEOSA-N 2 2 331.485 1.662 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033685200 708498958 /nfs/dbraw/zinc/49/89/58/708498958.db2.gz PBKMAINUKURSBC-INIZCTEOSA-N 2 2 331.485 1.662 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033685200 708498961 /nfs/dbraw/zinc/49/89/61/708498961.db2.gz PBKMAINUKURSBC-INIZCTEOSA-N 2 2 331.485 1.662 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ocnc2C)C1 ZINC001034249771 709612118 /nfs/dbraw/zinc/61/21/18/709612118.db2.gz OCYFWCVCVINXKO-IRXDYDNUSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ocnc2C)C1 ZINC001034249771 709612120 /nfs/dbraw/zinc/61/21/20/709612120.db2.gz OCYFWCVCVINXKO-IRXDYDNUSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ocnc2C)C1 ZINC001034249771 709612123 /nfs/dbraw/zinc/61/21/23/709612123.db2.gz OCYFWCVCVINXKO-IRXDYDNUSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ocnc2C)C1 ZINC001034249771 709612126 /nfs/dbraw/zinc/61/21/26/709612126.db2.gz OCYFWCVCVINXKO-IRXDYDNUSA-N 2 2 344.459 1.551 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498918 711888838 /nfs/dbraw/zinc/88/88/38/711888838.db2.gz JHWCNJSRRVNJOY-GOSISDBHSA-N 2 2 328.460 2.000 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498918 711888840 /nfs/dbraw/zinc/88/88/40/711888840.db2.gz JHWCNJSRRVNJOY-GOSISDBHSA-N 2 2 328.460 2.000 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)CC[N@@H+]1C ZINC001004522762 711922112 /nfs/dbraw/zinc/92/21/12/711922112.db2.gz PIPCCJJTWKLDLK-RYQLBKOJSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3CC#N)CC2)CC[N@H+]1C ZINC001004522762 711922113 /nfs/dbraw/zinc/92/21/13/711922113.db2.gz PIPCCJJTWKLDLK-RYQLBKOJSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC[NH+]1C ZINC001004522762 711922114 /nfs/dbraw/zinc/92/21/14/711922114.db2.gz PIPCCJJTWKLDLK-RYQLBKOJSA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC[NH+]1C ZINC001004522762 711922115 /nfs/dbraw/zinc/92/21/15/711922115.db2.gz PIPCCJJTWKLDLK-RYQLBKOJSA-N 2 2 332.492 1.943 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)[N@H+](C)C1 ZINC000328951004 539379470 /nfs/dbraw/zinc/37/94/70/539379470.db2.gz NLVHADPXOMVRRD-IRXDYDNUSA-N 2 2 333.432 1.826 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)[N@@H+](C)C1 ZINC000328951004 539379473 /nfs/dbraw/zinc/37/94/73/539379473.db2.gz NLVHADPXOMVRRD-IRXDYDNUSA-N 2 2 333.432 1.826 20 30 EDEDLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329408849 539434771 /nfs/dbraw/zinc/43/47/71/539434771.db2.gz DJMHCTOVGCVSFF-AWEZNQCLSA-N 2 2 333.436 1.114 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333602239 539636648 /nfs/dbraw/zinc/63/66/48/539636648.db2.gz MSRLRPHABKVMTP-HOTGVXAUSA-N 2 2 332.473 1.674 20 30 EDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246350105 139104954 /nfs/dbraw/zinc/10/49/54/139104954.db2.gz FXCKXXKPFOKTKA-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246350105 139104955 /nfs/dbraw/zinc/10/49/55/139104955.db2.gz FXCKXXKPFOKTKA-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246350105 139104956 /nfs/dbraw/zinc/10/49/56/139104956.db2.gz FXCKXXKPFOKTKA-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246350105 139104957 /nfs/dbraw/zinc/10/49/57/139104957.db2.gz FXCKXXKPFOKTKA-FGTMMUONSA-N 2 2 329.444 1.857 20 30 EDEDLP C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262785775 249323500 /nfs/dbraw/zinc/32/35/00/249323500.db2.gz MKDPVDQEVSEHMB-GOEBONIOSA-N 2 2 336.505 1.602 20 30 EDEDLP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263114653 249326968 /nfs/dbraw/zinc/32/69/68/249326968.db2.gz FLLHRAAZLPTJQQ-MRXNPFEDSA-N 2 2 338.496 1.366 20 30 EDEDLP C=C(C)CNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264078816 249332002 /nfs/dbraw/zinc/33/20/02/249332002.db2.gz GQHHJSVYQZYKRF-UHFFFAOYSA-N 2 2 331.464 1.298 20 30 EDEDLP CC(C)[NH2+]C1CCN(CC#CC[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000341876863 250002926 /nfs/dbraw/zinc/00/29/26/250002926.db2.gz PMQDDIAOTZYNDW-UHFFFAOYSA-N 3 2 334.552 1.915 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(OC)cc3)CC2)CC1 ZINC000490922273 255109211 /nfs/dbraw/zinc/10/92/11/255109211.db2.gz CQDGDWSRGVUJCL-UHFFFAOYSA-N 2 2 327.428 1.051 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](CC)CO)CC1 ZINC000490948839 255111953 /nfs/dbraw/zinc/11/19/53/255111953.db2.gz HJDVCDPPLVQEDD-IBGZPJMESA-N 2 2 343.471 1.037 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](CC)CO)CC1 ZINC000490948839 255111954 /nfs/dbraw/zinc/11/19/54/255111954.db2.gz HJDVCDPPLVQEDD-IBGZPJMESA-N 2 2 343.471 1.037 20 30 EDEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000491671998 255138797 /nfs/dbraw/zinc/13/87/97/255138797.db2.gz GLEBRVBJWZYYJJ-UHFFFAOYSA-N 2 2 342.487 1.236 20 30 EDEDLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000339699485 142124434 /nfs/dbraw/zinc/12/44/34/142124434.db2.gz OCXLVRNJEOAWOQ-MRXNPFEDSA-N 2 2 344.459 1.169 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000418519498 268218966 /nfs/dbraw/zinc/21/89/66/268218966.db2.gz NPFFKTBIOUEVNE-UHFFFAOYSA-N 2 2 327.432 1.267 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068444264 441800497 /nfs/dbraw/zinc/80/04/97/441800497.db2.gz HPDJWKBTVVOBAF-LJQANCHMSA-N 2 2 325.456 1.819 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068444264 441800499 /nfs/dbraw/zinc/80/04/99/441800499.db2.gz HPDJWKBTVVOBAF-LJQANCHMSA-N 2 2 325.456 1.819 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000175595953 442090955 /nfs/dbraw/zinc/09/09/55/442090955.db2.gz AXJUGYHCCJKEGH-UHFFFAOYSA-N 2 2 329.448 1.383 20 30 EDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N1CCO[C@H](COC)C1 ZINC000261749306 443167354 /nfs/dbraw/zinc/16/73/54/443167354.db2.gz CDHMVZGTPCYEHM-HNNXBMFYSA-N 2 2 345.447 1.267 20 30 EDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264137716 443253019 /nfs/dbraw/zinc/25/30/19/443253019.db2.gz VTCWJVMKIZQWRM-DLBZAZTESA-N 3 2 335.471 1.817 20 30 EDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264137716 443253022 /nfs/dbraw/zinc/25/30/22/443253022.db2.gz VTCWJVMKIZQWRM-DLBZAZTESA-N 3 2 335.471 1.817 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000266853627 443268113 /nfs/dbraw/zinc/26/81/13/443268113.db2.gz FVTULXSMJKXRBL-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000266853627 443268115 /nfs/dbraw/zinc/26/81/15/443268115.db2.gz FVTULXSMJKXRBL-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000266853627 443268116 /nfs/dbraw/zinc/26/81/16/443268116.db2.gz FVTULXSMJKXRBL-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000266853627 443268118 /nfs/dbraw/zinc/26/81/18/443268118.db2.gz FVTULXSMJKXRBL-CRAIPNDOSA-N 2 2 328.460 1.837 20 30 EDEDLP CC1(C)C[NH+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000557408202 321004049 /nfs/dbraw/zinc/00/40/49/321004049.db2.gz HUEURLDNQNTQEC-UHFFFAOYSA-N 2 2 326.444 1.544 20 30 EDEDLP C#CC[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294896692 444155709 /nfs/dbraw/zinc/15/57/09/444155709.db2.gz FIIPWEGOMKEQEU-QGZVFWFLSA-N 2 2 341.415 1.962 20 30 EDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000332262855 444507505 /nfs/dbraw/zinc/50/75/05/444507505.db2.gz FFUQWRHGUNVOFI-MSOLQXFVSA-N 2 2 349.523 1.095 20 30 EDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000332262855 444507508 /nfs/dbraw/zinc/50/75/08/444507508.db2.gz FFUQWRHGUNVOFI-MSOLQXFVSA-N 2 2 349.523 1.095 20 30 EDEDLP Cn1c[nH+]cc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000329623552 444653506 /nfs/dbraw/zinc/65/35/06/444653506.db2.gz HMVKAJRMEJVKKM-UHFFFAOYSA-N 2 2 348.495 1.184 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@H]3CCOC3)CC2)CC1 ZINC000329653816 444666541 /nfs/dbraw/zinc/66/65/41/444666541.db2.gz LORUWWQTHBNRCZ-HNNXBMFYSA-N 2 2 338.496 1.475 20 30 EDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000329792959 444718418 /nfs/dbraw/zinc/71/84/18/444718418.db2.gz AOVYDAIUOYTDOD-AWEZNQCLSA-N 2 2 348.495 1.543 20 30 EDEDLP Cn1cc[nH+]c1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000329806294 444724220 /nfs/dbraw/zinc/72/42/20/444724220.db2.gz NVPZSENTZLCCOZ-UHFFFAOYSA-N 2 2 335.452 1.411 20 30 EDEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330270085 444915672 /nfs/dbraw/zinc/91/56/72/444915672.db2.gz SVWUBLDLFGYBPF-CYBMUJFWSA-N 2 2 331.424 1.761 20 30 EDEDLP C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]c1ccn(C2CC[NH+](C)CC2)n1 ZINC000330270085 444915674 /nfs/dbraw/zinc/91/56/74/444915674.db2.gz SVWUBLDLFGYBPF-CYBMUJFWSA-N 2 2 331.424 1.761 20 30 EDEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362384909 445355524 /nfs/dbraw/zinc/35/55/24/445355524.db2.gz NYVVQSKORJXPFU-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362384909 445355527 /nfs/dbraw/zinc/35/55/27/445355527.db2.gz NYVVQSKORJXPFU-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000361019607 445745229 /nfs/dbraw/zinc/74/52/29/445745229.db2.gz VGNNRGDSWOTRJE-QGZVFWFLSA-N 3 2 349.523 1.105 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000361019607 445745234 /nfs/dbraw/zinc/74/52/34/445745234.db2.gz VGNNRGDSWOTRJE-QGZVFWFLSA-N 3 2 349.523 1.105 20 30 EDEDLP C=CCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363821470 445877837 /nfs/dbraw/zinc/87/78/37/445877837.db2.gz NLEBELBYRKADDK-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363821470 445877843 /nfs/dbraw/zinc/87/78/43/445877843.db2.gz NLEBELBYRKADDK-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[NH+](CC#CCN2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000351417022 446062739 /nfs/dbraw/zinc/06/27/39/446062739.db2.gz QFDRLDMIDMYNLW-WOJBJXKFSA-N 3 2 334.552 1.537 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[NH+](CC#CCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000351417022 446062746 /nfs/dbraw/zinc/06/27/46/446062746.db2.gz QFDRLDMIDMYNLW-WOJBJXKFSA-N 3 2 334.552 1.537 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#CCN2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000351417022 446062751 /nfs/dbraw/zinc/06/27/51/446062751.db2.gz QFDRLDMIDMYNLW-WOJBJXKFSA-N 3 2 334.552 1.537 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#CCN2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000351417022 446062756 /nfs/dbraw/zinc/06/27/56/446062756.db2.gz QFDRLDMIDMYNLW-WOJBJXKFSA-N 3 2 334.552 1.537 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365533910 446244287 /nfs/dbraw/zinc/24/42/87/446244287.db2.gz CWIATSTWGNWGAK-IXDOHACOSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365533910 446244290 /nfs/dbraw/zinc/24/42/90/446244290.db2.gz CWIATSTWGNWGAK-IXDOHACOSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365533910 446244293 /nfs/dbraw/zinc/24/42/93/446244293.db2.gz CWIATSTWGNWGAK-IXDOHACOSA-N 2 2 329.448 1.058 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365533910 446244295 /nfs/dbraw/zinc/24/42/95/446244295.db2.gz CWIATSTWGNWGAK-IXDOHACOSA-N 2 2 329.448 1.058 20 30 EDEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370816566 446457847 /nfs/dbraw/zinc/45/78/47/446457847.db2.gz ATHMVOILXRPTSU-SFHVURJKSA-N 2 2 326.444 1.799 20 30 EDEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370816566 446457851 /nfs/dbraw/zinc/45/78/51/446457851.db2.gz ATHMVOILXRPTSU-SFHVURJKSA-N 2 2 326.444 1.799 20 30 EDEDLP C#CC[N@@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490854226 447900338 /nfs/dbraw/zinc/90/03/38/447900338.db2.gz YOVSBLNXRNZWSC-UHFFFAOYSA-N 2 2 329.444 1.090 20 30 EDEDLP C#CC[N@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490854226 447900340 /nfs/dbraw/zinc/90/03/40/447900340.db2.gz YOVSBLNXRNZWSC-UHFFFAOYSA-N 2 2 329.444 1.090 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000490915052 447908166 /nfs/dbraw/zinc/90/81/66/447908166.db2.gz LHELRYCYXJVQQK-CQSZACIVSA-N 2 2 333.407 1.262 20 30 EDEDLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000526003711 448076979 /nfs/dbraw/zinc/07/69/79/448076979.db2.gz SEQIOUBMZBCRAS-UHFFFAOYSA-N 2 2 347.369 1.727 20 30 EDEDLP C[C@H](c1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1)[NH+]1CCOCC1 ZINC000565653451 448375187 /nfs/dbraw/zinc/37/51/87/448375187.db2.gz DVSGYJHYRNKSDD-APWZRJJASA-N 2 2 346.475 1.698 20 30 EDEDLP C[C@H](c1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1)[NH+]1CCOCC1 ZINC000565653451 448375193 /nfs/dbraw/zinc/37/51/93/448375193.db2.gz DVSGYJHYRNKSDD-APWZRJJASA-N 2 2 346.475 1.698 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000518966244 448725745 /nfs/dbraw/zinc/72/57/45/448725745.db2.gz HTIKGBBGFLCYAS-LJQANCHMSA-N 2 2 346.475 1.262 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000518966244 448725751 /nfs/dbraw/zinc/72/57/51/448725751.db2.gz HTIKGBBGFLCYAS-LJQANCHMSA-N 2 2 346.475 1.262 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519538709 448780505 /nfs/dbraw/zinc/78/05/05/448780505.db2.gz IZLIKDHJSQQVBR-NUJGCVRESA-N 2 2 325.497 1.087 20 30 EDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000580836796 448958125 /nfs/dbraw/zinc/95/81/25/448958125.db2.gz KFYUHLNLGQQJFP-MJGOQNOKSA-N 2 2 328.460 1.859 20 30 EDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000580836796 448958131 /nfs/dbraw/zinc/95/81/31/448958131.db2.gz KFYUHLNLGQQJFP-MJGOQNOKSA-N 2 2 328.460 1.859 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905890 449244454 /nfs/dbraw/zinc/24/44/54/449244454.db2.gz XDKRGHRTPAUZBZ-JFIYKMOQSA-N 2 2 338.496 1.472 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905890 449244457 /nfs/dbraw/zinc/24/44/57/449244457.db2.gz XDKRGHRTPAUZBZ-JFIYKMOQSA-N 2 2 338.496 1.472 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000601980467 449262153 /nfs/dbraw/zinc/26/21/53/449262153.db2.gz JYWVADQGARJEIA-CQSZACIVSA-N 2 2 325.420 1.566 20 30 EDEDLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000596162206 449391388 /nfs/dbraw/zinc/39/13/88/449391388.db2.gz FKPCLZFHSDVWCQ-HNNXBMFYSA-N 2 2 331.464 1.802 20 30 EDEDLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000596162206 449391390 /nfs/dbraw/zinc/39/13/90/449391390.db2.gz FKPCLZFHSDVWCQ-HNNXBMFYSA-N 2 2 331.464 1.802 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600714582 449512518 /nfs/dbraw/zinc/51/25/18/449512518.db2.gz NMBOJKRJMLHPPQ-ZWKOTPCHSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600714582 449512520 /nfs/dbraw/zinc/51/25/20/449512520.db2.gz NMBOJKRJMLHPPQ-ZWKOTPCHSA-N 2 2 347.459 1.244 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000594441517 449519792 /nfs/dbraw/zinc/51/97/92/449519792.db2.gz JPZYUHBQDDUMBX-CYBMUJFWSA-N 2 2 327.392 1.280 20 30 EDEDLP Cc1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000594820644 449729897 /nfs/dbraw/zinc/72/98/97/449729897.db2.gz DWQJUWFQQVGQBS-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP Cc1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000594820644 449729898 /nfs/dbraw/zinc/72/98/98/449729898.db2.gz DWQJUWFQQVGQBS-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP CCC#C[C@H](C)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000677047929 486963285 /nfs/dbraw/zinc/96/32/85/486963285.db2.gz LACJOOGMSTYSOZ-INIZCTEOSA-N 2 2 329.448 1.237 20 30 EDEDLP CON=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779681 578727809 /nfs/dbraw/zinc/72/78/09/578727809.db2.gz GDFIKJVVSPLMDC-QGZVFWFLSA-N 2 2 344.459 1.565 20 30 EDEDLP CON=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779681 578727811 /nfs/dbraw/zinc/72/78/11/578727811.db2.gz GDFIKJVVSPLMDC-QGZVFWFLSA-N 2 2 344.459 1.565 20 30 EDEDLP C[NH+](C)CCOc1ccc([NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1 ZINC000735676101 578909763 /nfs/dbraw/zinc/90/97/63/578909763.db2.gz IKILAXAMCFXERF-CQSZACIVSA-N 2 2 340.431 1.849 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc(F)cc3F)cn2)CC1 ZINC000755464679 579927613 /nfs/dbraw/zinc/92/76/13/579927613.db2.gz RDEQIARNGPZPLS-UHFFFAOYSA-N 2 2 332.358 1.953 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775786497 580400398 /nfs/dbraw/zinc/40/03/98/580400398.db2.gz XNSBBJBATYBTNR-RTBURBONSA-N 2 2 341.455 1.101 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000789308804 580741759 /nfs/dbraw/zinc/74/17/59/580741759.db2.gz GTKIJRIKMDJPAJ-UHFFFAOYSA-N 2 2 343.446 1.725 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000900006716 591865101 /nfs/dbraw/zinc/86/51/01/591865101.db2.gz DXTOENKKSAQGHO-LJQANCHMSA-N 2 2 345.487 1.992 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000900209204 591943285 /nfs/dbraw/zinc/94/32/85/591943285.db2.gz MHYPOVBFKKKQRH-IYBDPMFKSA-N 2 2 346.475 1.819 20 30 EDEDLP CC(C)OCc1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000902716857 592049929 /nfs/dbraw/zinc/04/99/29/592049929.db2.gz HXQMRJNOVNSCTG-UHFFFAOYSA-N 2 2 347.419 1.893 20 30 EDEDLP Cc1cc(C#N)cc(C)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906906539 592397707 /nfs/dbraw/zinc/39/77/07/592397707.db2.gz HJIFECOVNHBCTH-UHFFFAOYSA-N 2 2 342.487 1.860 20 30 EDEDLP C=C(C)CC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819345945 593751457 /nfs/dbraw/zinc/75/14/57/593751457.db2.gz ASOQHAZUEPFEBU-GOSISDBHSA-N 2 2 333.476 1.734 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cn(CC3CC3)nn2)cc1 ZINC000842037291 595006711 /nfs/dbraw/zinc/00/67/11/595006711.db2.gz WCAOMTYIDVYFTH-UHFFFAOYSA-N 2 2 328.420 1.587 20 30 EDEDLP C#CCCOc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846010107 595121661 /nfs/dbraw/zinc/12/16/61/595121661.db2.gz BKCDHLNBAWBNDH-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CCCOc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000846010107 595121663 /nfs/dbraw/zinc/12/16/63/595121663.db2.gz BKCDHLNBAWBNDH-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000857566244 595552055 /nfs/dbraw/zinc/55/20/55/595552055.db2.gz YJXZPOSWPDCKRS-KRWDZBQOSA-N 2 2 340.471 1.104 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000857566244 595552058 /nfs/dbraw/zinc/55/20/58/595552058.db2.gz YJXZPOSWPDCKRS-KRWDZBQOSA-N 2 2 340.471 1.104 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000867974761 596640915 /nfs/dbraw/zinc/64/09/15/596640915.db2.gz DNDDEUCEPKMLBC-VQIMIIECSA-N 2 2 347.422 1.535 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000872280072 596865572 /nfs/dbraw/zinc/86/55/72/596865572.db2.gz IVJLQJTVPHRWAD-SFHVURJKSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000872280072 596865574 /nfs/dbraw/zinc/86/55/74/596865574.db2.gz IVJLQJTVPHRWAD-SFHVURJKSA-N 2 2 333.476 1.187 20 30 EDEDLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876770784 597332331 /nfs/dbraw/zinc/33/23/31/597332331.db2.gz KGGCGZWBRUHJJT-SFHVURJKSA-N 2 2 337.427 1.847 20 30 EDEDLP C#CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CSC1 ZINC000878914188 597753720 /nfs/dbraw/zinc/75/37/20/597753720.db2.gz PJKSNHIEDNFFCB-UHFFFAOYSA-N 2 2 344.484 1.171 20 30 EDEDLP C#CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CSC1 ZINC000878914188 597753722 /nfs/dbraw/zinc/75/37/22/597753722.db2.gz PJKSNHIEDNFFCB-UHFFFAOYSA-N 2 2 344.484 1.171 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000884189238 598020637 /nfs/dbraw/zinc/02/06/37/598020637.db2.gz ZXUBKNPTESWKEK-GJZGRUSLSA-N 2 2 325.453 1.060 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939858580 699997477 /nfs/dbraw/zinc/99/74/77/699997477.db2.gz YZSZLXOEJJIZKD-ZYHUDNBSSA-N 2 2 327.226 1.228 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccccc3CC)C2)CC1 ZINC001031435456 697103344 /nfs/dbraw/zinc/10/33/44/697103344.db2.gz AYAGUGRSBUHCKP-UHFFFAOYSA-N 2 2 339.483 1.895 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850111 700944102 /nfs/dbraw/zinc/94/41/02/700944102.db2.gz BILWJNULDQJEKD-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850111 700944104 /nfs/dbraw/zinc/94/41/04/700944104.db2.gz BILWJNULDQJEKD-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031987631 702421643 /nfs/dbraw/zinc/42/16/43/702421643.db2.gz USTIXNXSKOTCQK-QZTJIDSGSA-N 2 2 349.438 1.643 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996378229 702744077 /nfs/dbraw/zinc/74/40/77/702744077.db2.gz VPDQNEDCYQIWFW-MRXNPFEDSA-N 2 2 333.476 1.091 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996508673 702829628 /nfs/dbraw/zinc/82/96/28/702829628.db2.gz WNYPTLHIGGKSMJ-MRXNPFEDSA-N 2 2 325.416 1.894 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC000996686570 702993252 /nfs/dbraw/zinc/99/32/52/702993252.db2.gz UWPNYOLUHJMWPL-WBVHZDCISA-N 2 2 344.459 1.722 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC000996686570 702993253 /nfs/dbraw/zinc/99/32/53/702993253.db2.gz UWPNYOLUHJMWPL-WBVHZDCISA-N 2 2 344.459 1.722 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997529527 703782346 /nfs/dbraw/zinc/78/23/46/703782346.db2.gz CVWWQHGZGDTIMD-DZGCQCFKSA-N 2 2 329.872 1.286 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997529527 703782348 /nfs/dbraw/zinc/78/23/48/703782348.db2.gz CVWWQHGZGDTIMD-DZGCQCFKSA-N 2 2 329.872 1.286 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033083638 704142240 /nfs/dbraw/zinc/14/22/40/704142240.db2.gz CBTZYYWJAMGWJW-KZNAEPCWSA-N 2 2 340.471 1.710 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033083638 704142242 /nfs/dbraw/zinc/14/22/42/704142242.db2.gz CBTZYYWJAMGWJW-KZNAEPCWSA-N 2 2 340.471 1.710 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998280083 705667737 /nfs/dbraw/zinc/66/77/37/705667737.db2.gz ZPRRIWBEWJKNPO-STQMWFEESA-N 2 2 328.338 1.275 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044752560 707926873 /nfs/dbraw/zinc/92/68/73/707926873.db2.gz YBRCUOSDFYTRKW-VXGBXAGGSA-N 2 2 341.253 1.830 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)[N@H+](C)C1 ZINC000328970449 539380009 /nfs/dbraw/zinc/38/00/09/539380009.db2.gz BDPSJEXOJUEUIX-WMZOPIPTSA-N 2 2 347.459 1.950 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)[N@@H+](C)C1 ZINC000328970449 539380014 /nfs/dbraw/zinc/38/00/14/539380014.db2.gz BDPSJEXOJUEUIX-WMZOPIPTSA-N 2 2 347.459 1.950 20 30 EDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333553758 539633793 /nfs/dbraw/zinc/63/37/93/539633793.db2.gz GBBUGJZYNPIMSI-SJORKVTESA-N 2 2 348.491 1.420 20 30 EDEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803309 203049726 /nfs/dbraw/zinc/04/97/26/203049726.db2.gz WPVDCKNYJYFINE-KRWDZBQOSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803309 203049728 /nfs/dbraw/zinc/04/97/28/203049728.db2.gz WPVDCKNYJYFINE-KRWDZBQOSA-N 2 2 329.444 1.981 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356412423 250125464 /nfs/dbraw/zinc/12/54/64/250125464.db2.gz CRLOCPPSZRBCRS-QWHCGFSZSA-N 2 2 347.463 1.485 20 30 EDEDLP CC1(C#N)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000356455956 250125587 /nfs/dbraw/zinc/12/55/87/250125587.db2.gz MKZJFTVVKMXSAA-UHFFFAOYSA-N 2 2 340.471 1.956 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC000373782761 250244981 /nfs/dbraw/zinc/24/49/81/250244981.db2.gz MVCLKZCHWNMVJJ-UHFFFAOYSA-N 2 2 333.480 1.538 20 30 EDEDLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424180779 252154869 /nfs/dbraw/zinc/15/48/69/252154869.db2.gz PMNOBPOIBOIWRD-OAHLLOKOSA-N 2 2 335.477 1.507 20 30 EDEDLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424180779 252154872 /nfs/dbraw/zinc/15/48/72/252154872.db2.gz PMNOBPOIBOIWRD-OAHLLOKOSA-N 2 2 335.477 1.507 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C#N ZINC000487900076 255039100 /nfs/dbraw/zinc/03/91/00/255039100.db2.gz RVDCVDZYVWLZCJ-UHFFFAOYSA-N 2 2 326.444 1.607 20 30 EDEDLP Cn1cc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271863498 140362880 /nfs/dbraw/zinc/36/28/80/140362880.db2.gz LAFKEINIJSPAPN-LJQANCHMSA-N 2 2 339.443 1.579 20 30 EDEDLP Cc1onc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000331882399 141093535 /nfs/dbraw/zinc/09/35/35/141093535.db2.gz PZONUEZEWBXIPJ-UHFFFAOYSA-N 2 2 345.447 1.072 20 30 EDEDLP C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000358036215 151242467 /nfs/dbraw/zinc/24/24/67/151242467.db2.gz KQWPBDHXJFIFPC-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC[NH+](CCO)CC1 ZINC000358036215 151242469 /nfs/dbraw/zinc/24/24/69/151242469.db2.gz KQWPBDHXJFIFPC-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000528392603 268299970 /nfs/dbraw/zinc/29/99/70/268299970.db2.gz CBOLNRGZPDDMIB-QGZVFWFLSA-N 2 2 326.400 1.832 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cc1 ZINC000279766933 273325376 /nfs/dbraw/zinc/32/53/76/273325376.db2.gz RWZLXKURENSAPB-LJQANCHMSA-N 2 2 338.455 1.829 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1 ZINC000279766933 273325377 /nfs/dbraw/zinc/32/53/77/273325377.db2.gz RWZLXKURENSAPB-LJQANCHMSA-N 2 2 338.455 1.829 20 30 EDEDLP Cn1c(C#N)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449965217 447422152 /nfs/dbraw/zinc/42/21/52/447422152.db2.gz LXWSVDVTHQIYKI-UHFFFAOYSA-N 2 2 343.475 1.577 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159734380 441834169 /nfs/dbraw/zinc/83/41/69/441834169.db2.gz XTQGBSNMHVCMHG-ILXRZTDVSA-N 2 2 326.404 1.252 20 30 EDEDLP C=CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000093821127 441897586 /nfs/dbraw/zinc/89/75/86/441897586.db2.gz OCMTYAHVBPFHNV-SFHVURJKSA-N 2 2 343.471 1.990 20 30 EDEDLP C=CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000093821127 441897592 /nfs/dbraw/zinc/89/75/92/441897592.db2.gz OCMTYAHVBPFHNV-SFHVURJKSA-N 2 2 343.471 1.990 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2OCC#N)CC1 ZINC000177121704 442300462 /nfs/dbraw/zinc/30/04/62/442300462.db2.gz XOKBVTBZTUHNNE-UHFFFAOYSA-N 2 2 330.432 1.345 20 30 EDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129135522 442302842 /nfs/dbraw/zinc/30/28/42/442302842.db2.gz BEOWEWQGPAFRGI-CQSZACIVSA-N 2 2 348.472 1.602 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172843737 442553769 /nfs/dbraw/zinc/55/37/69/442553769.db2.gz JEOSXKXAAIECDP-IBGZPJMESA-N 2 2 343.471 1.654 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172843737 442553773 /nfs/dbraw/zinc/55/37/73/442553773.db2.gz JEOSXKXAAIECDP-IBGZPJMESA-N 2 2 343.471 1.654 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccccc3)CC2)CC1 ZINC000192103775 442593091 /nfs/dbraw/zinc/59/30/91/442593091.db2.gz TWXNWPZGIWEHAP-UHFFFAOYSA-N 2 2 339.483 1.914 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246545423 442792236 /nfs/dbraw/zinc/79/22/36/442792236.db2.gz KBLAHFZSTGRQPI-LZWOXQAQSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246545423 442792241 /nfs/dbraw/zinc/79/22/41/442792241.db2.gz KBLAHFZSTGRQPI-LZWOXQAQSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545423 442792244 /nfs/dbraw/zinc/79/22/44/442792244.db2.gz KBLAHFZSTGRQPI-LZWOXQAQSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246545423 442792249 /nfs/dbraw/zinc/79/22/49/442792249.db2.gz KBLAHFZSTGRQPI-LZWOXQAQSA-N 2 2 334.464 1.335 20 30 EDEDLP CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261943149 443175443 /nfs/dbraw/zinc/17/54/43/443175443.db2.gz FAABFSWUPHASLW-HUUCEWRRSA-N 2 2 348.495 1.504 20 30 EDEDLP CC1(C)C[N@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCO1 ZINC000262429848 443194156 /nfs/dbraw/zinc/19/41/56/443194156.db2.gz BMMQODFKLXKPOD-OAHLLOKOSA-N 2 2 332.448 1.525 20 30 EDEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCO1 ZINC000262429848 443194158 /nfs/dbraw/zinc/19/41/58/443194158.db2.gz BMMQODFKLXKPOD-OAHLLOKOSA-N 2 2 332.448 1.525 20 30 EDEDLP N#C[C@@H]1CC[C@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000278685958 443402270 /nfs/dbraw/zinc/40/22/70/443402270.db2.gz RZOFAMCNTQURCL-CVEARBPZSA-N 2 2 342.447 1.127 20 30 EDEDLP COc1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000267461408 443465529 /nfs/dbraw/zinc/46/55/29/443465529.db2.gz VFIWBGKSNHUIMD-UHFFFAOYSA-N 2 2 332.408 1.430 20 30 EDEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000272220445 443560003 /nfs/dbraw/zinc/56/00/03/443560003.db2.gz BUFRUZVUIXSKRC-UHFFFAOYSA-N 2 2 349.475 1.537 20 30 EDEDLP C=CC[N@H+](CCc1ccco1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000272220445 443560005 /nfs/dbraw/zinc/56/00/05/443560005.db2.gz BUFRUZVUIXSKRC-UHFFFAOYSA-N 2 2 349.475 1.537 20 30 EDEDLP C[C@H]1CN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000538396072 320743010 /nfs/dbraw/zinc/74/30/10/320743010.db2.gz OSZJVAREDIREMD-KRWDZBQOSA-N 2 2 342.487 1.833 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277432679 443986520 /nfs/dbraw/zinc/98/65/20/443986520.db2.gz QCDAVABPXASLIC-GOEBONIOSA-N 2 2 336.505 1.543 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277432679 443986524 /nfs/dbraw/zinc/98/65/24/443986524.db2.gz QCDAVABPXASLIC-GOEBONIOSA-N 2 2 336.505 1.543 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CN1CCOCC1)c1ccccc1C ZINC000294896541 444156040 /nfs/dbraw/zinc/15/60/40/444156040.db2.gz FHCUBNRVNXEOFX-HXUWFJFHSA-N 2 2 329.488 1.913 20 30 EDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329293502 444523727 /nfs/dbraw/zinc/52/37/27/444523727.db2.gz JHQGRHNEZXOVCD-OAHLLOKOSA-N 2 2 329.448 1.791 20 30 EDEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000329584290 444638334 /nfs/dbraw/zinc/63/83/34/444638334.db2.gz QUFXYMDHALDVBV-AEFFLSMTSA-N 2 2 347.459 1.565 20 30 EDEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000329584290 444638335 /nfs/dbraw/zinc/63/83/35/444638335.db2.gz QUFXYMDHALDVBV-AEFFLSMTSA-N 2 2 347.459 1.565 20 30 EDEDLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329584290 444638336 /nfs/dbraw/zinc/63/83/36/444638336.db2.gz QUFXYMDHALDVBV-AEFFLSMTSA-N 2 2 347.459 1.565 20 30 EDEDLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329584290 444638337 /nfs/dbraw/zinc/63/83/37/444638337.db2.gz QUFXYMDHALDVBV-AEFFLSMTSA-N 2 2 347.459 1.565 20 30 EDEDLP CN(CC1(O)CCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329595462 444641401 /nfs/dbraw/zinc/64/14/01/444641401.db2.gz VJTYOOMBPINTKM-UHFFFAOYSA-N 2 2 338.496 1.306 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000329951210 444783269 /nfs/dbraw/zinc/78/32/69/444783269.db2.gz IDKZHUXVBKYXPF-BZUAXINKSA-N 2 2 346.479 1.249 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000329951210 444783264 /nfs/dbraw/zinc/78/32/64/444783264.db2.gz IDKZHUXVBKYXPF-BZUAXINKSA-N 2 2 346.479 1.249 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000330302264 444929483 /nfs/dbraw/zinc/92/94/83/444929483.db2.gz OFPJYQXTAFDRBJ-QGZVFWFLSA-N 3 2 332.448 1.976 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000330302264 444929485 /nfs/dbraw/zinc/92/94/85/444929485.db2.gz OFPJYQXTAFDRBJ-QGZVFWFLSA-N 3 2 332.448 1.976 20 30 EDEDLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330932960 445196893 /nfs/dbraw/zinc/19/68/93/445196893.db2.gz BLYYGQDKCMGFMS-UHFFFAOYSA-N 2 2 326.485 1.475 20 30 EDEDLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330932960 445196896 /nfs/dbraw/zinc/19/68/96/445196896.db2.gz BLYYGQDKCMGFMS-UHFFFAOYSA-N 2 2 326.485 1.475 20 30 EDEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000363063236 445665370 /nfs/dbraw/zinc/66/53/70/445665370.db2.gz XQPXACJTGCSYBF-UHFFFAOYSA-N 2 2 331.420 1.278 20 30 EDEDLP CO/N=C/c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363338447 445771962 /nfs/dbraw/zinc/77/19/62/445771962.db2.gz GDFIKJVVSPLMDC-NNIWKIFQSA-N 2 2 344.459 1.565 20 30 EDEDLP CO/N=C/c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363338447 445771966 /nfs/dbraw/zinc/77/19/66/445771966.db2.gz GDFIKJVVSPLMDC-NNIWKIFQSA-N 2 2 344.459 1.565 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000360977020 445741574 /nfs/dbraw/zinc/74/15/74/445741574.db2.gz IVTZZHQFBBQRJQ-MOPGFXCFSA-N 2 2 328.460 1.989 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000360977020 445741577 /nfs/dbraw/zinc/74/15/77/445741577.db2.gz IVTZZHQFBBQRJQ-MOPGFXCFSA-N 2 2 328.460 1.989 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363762096 445873494 /nfs/dbraw/zinc/87/34/94/445873494.db2.gz BSQKWBZHHDGJKJ-GOSISDBHSA-N 2 2 340.471 1.774 20 30 EDEDLP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000361996027 446137644 /nfs/dbraw/zinc/13/76/44/446137644.db2.gz JZQQVFHKMIMQEV-UHFFFAOYSA-N 2 2 331.460 1.465 20 30 EDEDLP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000361996027 446137646 /nfs/dbraw/zinc/13/76/46/446137646.db2.gz JZQQVFHKMIMQEV-UHFFFAOYSA-N 2 2 331.460 1.465 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117923 446510826 /nfs/dbraw/zinc/51/08/26/446510826.db2.gz VQHQSYBAYNOJGU-INIZCTEOSA-N 2 2 343.475 1.738 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117923 446510831 /nfs/dbraw/zinc/51/08/31/446510831.db2.gz VQHQSYBAYNOJGU-INIZCTEOSA-N 2 2 343.475 1.738 20 30 EDEDLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1 ZINC000376483743 446525715 /nfs/dbraw/zinc/52/57/15/446525715.db2.gz JOQWABZJGOSFJZ-KXBFYZLASA-N 2 2 341.459 1.932 20 30 EDEDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCOCC1 ZINC000576271722 448015000 /nfs/dbraw/zinc/01/50/00/448015000.db2.gz IYGWIYLBNNYLSN-WMZOPIPTSA-N 2 2 347.459 1.050 20 30 EDEDLP C=CCCCS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000563058092 448284123 /nfs/dbraw/zinc/28/41/23/448284123.db2.gz GSSLJBINLLDBMY-UHFFFAOYSA-N 2 2 343.537 1.774 20 30 EDEDLP C=CCCCS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000563058092 448284129 /nfs/dbraw/zinc/28/41/29/448284129.db2.gz GSSLJBINLLDBMY-UHFFFAOYSA-N 2 2 343.537 1.774 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528399655 448513200 /nfs/dbraw/zinc/51/32/00/448513200.db2.gz XCYKUMHAMCXRSS-INIZCTEOSA-N 2 2 326.400 1.901 20 30 EDEDLP C(#CC[N@@H+]1CCOC[C@H]1C1CCC1)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000517140307 448542856 /nfs/dbraw/zinc/54/28/56/448542856.db2.gz NGFYXSWKMBJWSN-PMACEKPBSA-N 2 2 332.488 1.992 20 30 EDEDLP C(#CC[N@H+]1CCOC[C@H]1C1CCC1)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000517140307 448542857 /nfs/dbraw/zinc/54/28/57/448542857.db2.gz NGFYXSWKMBJWSN-PMACEKPBSA-N 2 2 332.488 1.992 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000592747229 448968205 /nfs/dbraw/zinc/96/82/05/448968205.db2.gz QGTPZWDXRRJYFB-CRAIPNDOSA-N 2 2 326.444 1.543 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000592747229 448968209 /nfs/dbraw/zinc/96/82/09/448968209.db2.gz QGTPZWDXRRJYFB-CRAIPNDOSA-N 2 2 326.444 1.543 20 30 EDEDLP CN(C(=O)c1cccc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589452986 449019433 /nfs/dbraw/zinc/01/94/33/449019433.db2.gz UKGWKNLLEHGNBR-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cccc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589452986 449019439 /nfs/dbraw/zinc/01/94/39/449019439.db2.gz UKGWKNLLEHGNBR-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942290 449120290 /nfs/dbraw/zinc/12/02/90/449120290.db2.gz ZBIDERTWJVNJIH-MAUKXSAKSA-N 2 2 341.459 1.526 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)N1CC#N ZINC000602851153 449859710 /nfs/dbraw/zinc/85/97/10/449859710.db2.gz TYTHBUBBRTXUOA-HDICACEKSA-N 2 2 342.487 1.937 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)N1CC#N ZINC000602851153 449859713 /nfs/dbraw/zinc/85/97/13/449859713.db2.gz TYTHBUBBRTXUOA-HDICACEKSA-N 2 2 342.487 1.937 20 30 EDEDLP C=C[C@@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718327 450318403 /nfs/dbraw/zinc/31/84/03/450318403.db2.gz IWJDDVUEXMMTKB-SFHVURJKSA-N 3 2 337.508 1.842 20 30 EDEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718327 450318406 /nfs/dbraw/zinc/31/84/06/450318406.db2.gz IWJDDVUEXMMTKB-SFHVURJKSA-N 3 2 337.508 1.842 20 30 EDEDLP C=C[C@@H](C(=O)OC)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000619718327 450318407 /nfs/dbraw/zinc/31/84/07/450318407.db2.gz IWJDDVUEXMMTKB-SFHVURJKSA-N 2 2 337.508 1.842 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644548207 451855665 /nfs/dbraw/zinc/85/56/65/451855665.db2.gz UMAQITRUVQDJAC-DLBZAZTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644548207 451855668 /nfs/dbraw/zinc/85/56/68/451855668.db2.gz UMAQITRUVQDJAC-DLBZAZTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC000657463732 452263364 /nfs/dbraw/zinc/26/33/64/452263364.db2.gz PDSXXOBAARXKBR-ZXFUBFMLSA-N 2 2 346.479 1.027 20 30 EDEDLP C=CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC000657463732 452263366 /nfs/dbraw/zinc/26/33/66/452263366.db2.gz PDSXXOBAARXKBR-ZXFUBFMLSA-N 2 2 346.479 1.027 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657681298 452442467 /nfs/dbraw/zinc/44/24/67/452442467.db2.gz OPTDXNGWZFFZIY-UHFFFAOYSA-N 2 2 341.415 1.348 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664016355 452719100 /nfs/dbraw/zinc/71/91/00/452719100.db2.gz OCCSNLPRIPZPAC-UHFFFAOYSA-N 3 2 339.528 1.210 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664016355 452719113 /nfs/dbraw/zinc/71/91/13/452719113.db2.gz OCCSNLPRIPZPAC-UHFFFAOYSA-N 3 2 339.528 1.210 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663292 453378025 /nfs/dbraw/zinc/37/80/25/453378025.db2.gz ZCHXVFAWUFYLDQ-ICSRJNTNSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663292 453378035 /nfs/dbraw/zinc/37/80/35/453378035.db2.gz ZCHXVFAWUFYLDQ-ICSRJNTNSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900402 453594598 /nfs/dbraw/zinc/59/45/98/453594598.db2.gz LLXWXNXOJJJLAB-IEBWSBKVSA-N 3 2 334.508 1.312 20 30 EDEDLP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900402 453594600 /nfs/dbraw/zinc/59/46/00/453594600.db2.gz LLXWXNXOJJJLAB-IEBWSBKVSA-N 3 2 334.508 1.312 20 30 EDEDLP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)N(C)C[C@@H]1CCOC1 ZINC000132202415 526359829 /nfs/dbraw/zinc/35/98/29/526359829.db2.gz SDJJDFHFINZCBL-INIZCTEOSA-N 2 2 330.476 1.588 20 30 EDEDLP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)N(C)C[C@@H]1CCOC1 ZINC000132202415 526359835 /nfs/dbraw/zinc/35/98/35/526359835.db2.gz SDJJDFHFINZCBL-INIZCTEOSA-N 2 2 330.476 1.588 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCc2ccccc2)CC(C)C)CC1 ZINC000748817352 579701428 /nfs/dbraw/zinc/70/14/28/579701428.db2.gz WSGAHSKRJWBETM-UHFFFAOYSA-N 2 2 341.499 1.965 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCc2ccccc2)CC(C)C)CC1 ZINC000748817352 579701429 /nfs/dbraw/zinc/70/14/29/579701429.db2.gz WSGAHSKRJWBETM-UHFFFAOYSA-N 2 2 341.499 1.965 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000748817865 579701590 /nfs/dbraw/zinc/70/15/90/579701590.db2.gz PMDCQJFBMAIXFG-NRFANRHFSA-N 2 2 339.483 1.818 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000748817865 579701591 /nfs/dbraw/zinc/70/15/91/579701591.db2.gz PMDCQJFBMAIXFG-NRFANRHFSA-N 2 2 339.483 1.818 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN(CC[NH+](CC)CC)CC(C)C)CC1 ZINC000752318146 579845595 /nfs/dbraw/zinc/84/55/95/579845595.db2.gz HONODBVJIDUOHP-UHFFFAOYSA-N 2 2 336.524 1.064 20 30 EDEDLP C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636191 580901054 /nfs/dbraw/zinc/90/10/54/580901054.db2.gz ZMDFPSRWSNZSHS-QWHCGFSZSA-N 2 2 331.449 1.754 20 30 EDEDLP C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636191 580901055 /nfs/dbraw/zinc/90/10/55/580901055.db2.gz ZMDFPSRWSNZSHS-QWHCGFSZSA-N 2 2 331.449 1.754 20 30 EDEDLP CC(C)(CCC#N)C[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000897574548 591562790 /nfs/dbraw/zinc/56/27/90/591562790.db2.gz GVYWHGPYPFCOOE-UHFFFAOYSA-N 2 2 329.452 1.783 20 30 EDEDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902806700 592062832 /nfs/dbraw/zinc/06/28/32/592062832.db2.gz MSBXOTCQWAPUHS-RDJZCZTQSA-N 2 2 329.448 1.010 20 30 EDEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)n2c1 ZINC000736639057 593022000 /nfs/dbraw/zinc/02/20/00/593022000.db2.gz HGCLFGNJGOPANR-GOSISDBHSA-N 2 2 339.443 1.939 20 30 EDEDLP C[C@@H](C#N)OCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000802730295 593273393 /nfs/dbraw/zinc/27/33/93/593273393.db2.gz UZPIENYWHHGTQD-AWEZNQCLSA-N 2 2 346.431 1.419 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000814643548 593599354 /nfs/dbraw/zinc/59/93/54/593599354.db2.gz ZTJSGZCMDTUJIR-HXUWFJFHSA-N 2 2 339.483 1.816 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000814643548 593599355 /nfs/dbraw/zinc/59/93/55/593599355.db2.gz ZTJSGZCMDTUJIR-HXUWFJFHSA-N 2 2 339.483 1.816 20 30 EDEDLP C=CCCC[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819273010 593747894 /nfs/dbraw/zinc/74/78/94/593747894.db2.gz NKXYFIYPSLWZBQ-SFHVURJKSA-N 2 2 333.476 1.734 20 30 EDEDLP C#C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000819284344 593748352 /nfs/dbraw/zinc/74/83/52/593748352.db2.gz MDVVVPOCQXIRLX-QUCCMNQESA-N 2 2 345.487 1.426 20 30 EDEDLP C=C(CC)C[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819357118 593751716 /nfs/dbraw/zinc/75/17/16/593751716.db2.gz MTTRXBKXYINGGB-GOSISDBHSA-N 2 2 333.476 1.734 20 30 EDEDLP CCC[NH+]1CCN(c2ccccc2C=[NH+]N(C)C(=S)NC)CC1 ZINC000841646875 594930880 /nfs/dbraw/zinc/93/08/80/594930880.db2.gz LRJJYNSXROCSSA-UHFFFAOYSA-N 2 2 333.505 1.989 20 30 EDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000852097986 596042955 /nfs/dbraw/zinc/04/29/55/596042955.db2.gz BSWRRJDWBJJGBC-FQEVSTJZSA-N 2 2 343.471 1.527 20 30 EDEDLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1 ZINC000867997089 596647030 /nfs/dbraw/zinc/64/70/30/596647030.db2.gz ARKDUCWBEQBTOY-ROUUACIJSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)c1 ZINC000867997089 596647034 /nfs/dbraw/zinc/64/70/34/596647034.db2.gz ARKDUCWBEQBTOY-ROUUACIJSA-N 2 2 344.459 1.333 20 30 EDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876996589 597407273 /nfs/dbraw/zinc/40/72/73/597407273.db2.gz VYYRHVXFJCRLKM-OAHLLOKOSA-N 2 2 349.866 1.639 20 30 EDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876996589 597407275 /nfs/dbraw/zinc/40/72/75/597407275.db2.gz VYYRHVXFJCRLKM-OAHLLOKOSA-N 2 2 349.866 1.639 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262561 597886845 /nfs/dbraw/zinc/88/68/45/597886845.db2.gz PGWYBWXSBOXIOS-CVEARBPZSA-N 2 2 329.448 1.600 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262561 597886846 /nfs/dbraw/zinc/88/68/46/597886846.db2.gz PGWYBWXSBOXIOS-CVEARBPZSA-N 2 2 329.448 1.600 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000884219104 598032720 /nfs/dbraw/zinc/03/27/20/598032720.db2.gz IHTZVCYDLXGVLM-CABCVRRESA-N 2 2 339.480 1.450 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000884219104 598032724 /nfs/dbraw/zinc/03/27/24/598032724.db2.gz IHTZVCYDLXGVLM-CABCVRRESA-N 2 2 339.480 1.450 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000917199116 696969653 /nfs/dbraw/zinc/96/96/53/696969653.db2.gz SGFYMFTUEQAPJG-ZNMIVQPWSA-N 2 2 333.395 1.375 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000917199116 696969657 /nfs/dbraw/zinc/96/96/57/696969657.db2.gz SGFYMFTUEQAPJG-ZNMIVQPWSA-N 2 2 333.395 1.375 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031579907 697275785 /nfs/dbraw/zinc/27/57/85/697275785.db2.gz OELWWINNOBDRPS-KRWDZBQOSA-N 2 2 330.407 1.340 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031579907 697275786 /nfs/dbraw/zinc/27/57/86/697275786.db2.gz OELWWINNOBDRPS-KRWDZBQOSA-N 2 2 330.407 1.340 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943252711 698013613 /nfs/dbraw/zinc/01/36/13/698013613.db2.gz COKSHCOEXCVCPF-ZWKOTPCHSA-N 2 2 347.503 1.481 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943252711 698013619 /nfs/dbraw/zinc/01/36/19/698013619.db2.gz COKSHCOEXCVCPF-ZWKOTPCHSA-N 2 2 347.503 1.481 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939407691 699562139 /nfs/dbraw/zinc/56/21/39/699562139.db2.gz ICOZJQFRLOJSFM-MLGOLLRUSA-N 2 2 341.390 1.600 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000939622466 699759358 /nfs/dbraw/zinc/75/93/58/699759358.db2.gz LHOXRCBJWHXHLM-ACJLOTCBSA-N 2 2 337.427 1.769 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032182945 702152735 /nfs/dbraw/zinc/15/27/35/702152735.db2.gz WLDBLFHSWSUVPN-KRWDZBQOSA-N 2 2 345.874 1.691 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032182945 702152739 /nfs/dbraw/zinc/15/27/39/702152739.db2.gz WLDBLFHSWSUVPN-KRWDZBQOSA-N 2 2 345.874 1.691 20 30 EDEDLP C=CCN1CC[NH+](C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000996789065 703081379 /nfs/dbraw/zinc/08/13/79/703081379.db2.gz KFKRMZLGVGARRT-UHFFFAOYSA-N 2 2 331.464 1.183 20 30 EDEDLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032601883 705396012 /nfs/dbraw/zinc/39/60/12/705396012.db2.gz GYWUWVVHJIWUAI-OALUTQOASA-N 2 2 338.455 1.685 20 30 EDEDLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001032601883 705396014 /nfs/dbraw/zinc/39/60/14/705396014.db2.gz GYWUWVVHJIWUAI-OALUTQOASA-N 2 2 338.455 1.685 20 30 EDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000999467635 706976084 /nfs/dbraw/zinc/97/60/84/706976084.db2.gz DLLDODXATOYZTA-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033267120 707296263 /nfs/dbraw/zinc/29/62/63/707296263.db2.gz UEMZGZAQSZCUNE-CQSZACIVSA-N 2 2 343.456 1.858 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033267120 707296267 /nfs/dbraw/zinc/29/62/67/707296267.db2.gz UEMZGZAQSZCUNE-CQSZACIVSA-N 2 2 343.456 1.858 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033880620 708977238 /nfs/dbraw/zinc/97/72/38/708977238.db2.gz MRFZTTTXKFFYNN-HZPDHXFCSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001033880620 708977241 /nfs/dbraw/zinc/97/72/41/708977241.db2.gz MRFZTTTXKFFYNN-HZPDHXFCSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033880620 708977244 /nfs/dbraw/zinc/97/72/44/708977244.db2.gz MRFZTTTXKFFYNN-HZPDHXFCSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033880620 708977246 /nfs/dbraw/zinc/97/72/46/708977246.db2.gz MRFZTTTXKFFYNN-HZPDHXFCSA-N 2 2 328.460 1.769 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001005518475 709488342 /nfs/dbraw/zinc/48/83/42/709488342.db2.gz LTXKEBNLIAUDOO-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001005518475 709488345 /nfs/dbraw/zinc/48/83/45/709488345.db2.gz LTXKEBNLIAUDOO-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034363075 709880472 /nfs/dbraw/zinc/88/04/72/709880472.db2.gz KENLRPVOBWDOFZ-HZPDHXFCSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034363075 709880476 /nfs/dbraw/zinc/88/04/76/709880476.db2.gz KENLRPVOBWDOFZ-HZPDHXFCSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363075 709880481 /nfs/dbraw/zinc/88/04/81/709880481.db2.gz KENLRPVOBWDOFZ-HZPDHXFCSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363075 709880485 /nfs/dbraw/zinc/88/04/85/709880485.db2.gz KENLRPVOBWDOFZ-HZPDHXFCSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003966936 711136782 /nfs/dbraw/zinc/13/67/82/711136782.db2.gz GHJZWJVZEAGIOD-ZDUSSCGKSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003966936 711136785 /nfs/dbraw/zinc/13/67/85/711136785.db2.gz GHJZWJVZEAGIOD-ZDUSSCGKSA-N 2 2 344.297 1.817 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC001034922120 711382209 /nfs/dbraw/zinc/38/22/09/711382209.db2.gz DTMUWOGZKOCMQC-QGZVFWFLSA-N 2 2 337.427 1.995 20 30 EDEDLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCCCC1 ZINC000329081817 539404286 /nfs/dbraw/zinc/40/42/86/539404286.db2.gz DGNRNIFVSAYJPP-OAHLLOKOSA-N 2 2 326.485 1.475 20 30 EDEDLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCCCC1 ZINC000329081817 539404290 /nfs/dbraw/zinc/40/42/90/539404290.db2.gz DGNRNIFVSAYJPP-OAHLLOKOSA-N 2 2 326.485 1.475 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3C#N)CC2)CC1 ZINC000052050704 201126531 /nfs/dbraw/zinc/12/65/31/201126531.db2.gz WODKNZULMFAYOK-UHFFFAOYSA-N 2 2 332.473 1.908 20 30 EDEDLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)s1 ZINC000424140114 252140697 /nfs/dbraw/zinc/14/06/97/252140697.db2.gz BDTIATBJHIVGIN-MRXNPFEDSA-N 2 2 334.489 1.976 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2C)C2CC2)CC1 ZINC000490917857 255108593 /nfs/dbraw/zinc/10/85/93/255108593.db2.gz ZMAQLJAYNYZUSJ-FQEVSTJZSA-N 2 2 325.456 1.813 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000490925041 255109708 /nfs/dbraw/zinc/10/97/08/255109708.db2.gz SZRLKGGDCULVER-KRWDZBQOSA-N 2 2 335.398 1.783 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000491682608 255140908 /nfs/dbraw/zinc/14/09/08/255140908.db2.gz STHOABIGZKUNSS-OAHLLOKOSA-N 2 2 331.485 1.837 20 30 EDEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000367527892 154162315 /nfs/dbraw/zinc/16/23/15/154162315.db2.gz TZJQYFLYLNBUJD-UHFFFAOYSA-N 2 2 328.395 1.543 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000122961240 222190897 /nfs/dbraw/zinc/19/08/97/222190897.db2.gz CMLJTOLZCGIMCE-UHFFFAOYSA-N 2 2 342.487 1.975 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000122961240 222190899 /nfs/dbraw/zinc/19/08/99/222190899.db2.gz CMLJTOLZCGIMCE-UHFFFAOYSA-N 2 2 342.487 1.975 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000065466620 441440051 /nfs/dbraw/zinc/44/00/51/441440051.db2.gz TYNXFJNTPHRDEP-RDTXWAMCSA-N 2 2 327.432 1.624 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000065466620 441440053 /nfs/dbraw/zinc/44/00/53/441440053.db2.gz TYNXFJNTPHRDEP-RDTXWAMCSA-N 2 2 327.432 1.624 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000043311972 441833415 /nfs/dbraw/zinc/83/34/15/441833415.db2.gz SFQDURONAMBTRZ-UHFFFAOYSA-N 2 2 338.415 1.282 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000162248863 442076550 /nfs/dbraw/zinc/07/65/50/442076550.db2.gz XTJSABGXEUOIAB-QGZVFWFLSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000162248863 442076557 /nfs/dbraw/zinc/07/65/57/442076557.db2.gz XTJSABGXEUOIAB-QGZVFWFLSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000162783844 442123007 /nfs/dbraw/zinc/12/30/07/442123007.db2.gz HBJGCZYZAGMNQG-SFHVURJKSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000162783844 442123011 /nfs/dbraw/zinc/12/30/11/442123011.db2.gz HBJGCZYZAGMNQG-SFHVURJKSA-N 2 2 342.443 1.175 20 30 EDEDLP C#CCSCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154128456 442322789 /nfs/dbraw/zinc/32/27/89/442322789.db2.gz VGMRRFRHSRVTPT-UHFFFAOYSA-N 2 2 338.521 1.211 20 30 EDEDLP C=CCCO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154549052 442345250 /nfs/dbraw/zinc/34/52/50/442345250.db2.gz URSJFRKZLBCGMP-HRBLRVMOSA-N 2 2 335.492 1.737 20 30 EDEDLP C=CCCO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154549052 442345254 /nfs/dbraw/zinc/34/52/54/442345254.db2.gz URSJFRKZLBCGMP-HRBLRVMOSA-N 2 2 335.492 1.737 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000134225705 442459863 /nfs/dbraw/zinc/45/98/63/442459863.db2.gz ROFRWTJLLFRWJG-VQIMIIECSA-N 2 2 341.455 1.088 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)CC1 ZINC000134225705 442459869 /nfs/dbraw/zinc/45/98/69/442459869.db2.gz ROFRWTJLLFRWJG-VQIMIIECSA-N 2 2 341.455 1.088 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186812390 442616348 /nfs/dbraw/zinc/61/63/48/442616348.db2.gz ACCUZDHTXSXLAD-UHFFFAOYSA-N 2 2 337.427 1.569 20 30 EDEDLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186812390 442616354 /nfs/dbraw/zinc/61/63/54/442616354.db2.gz ACCUZDHTXSXLAD-UHFFFAOYSA-N 2 2 337.427 1.569 20 30 EDEDLP C[NH+]=C(NCCc1nc(C)no1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261935042 443174798 /nfs/dbraw/zinc/17/47/98/443174798.db2.gz CFQNLTNJERZJII-GXTWGEPZSA-N 2 2 331.424 1.276 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)C[C@@H]1CCOC1 ZINC000261666465 443162827 /nfs/dbraw/zinc/16/28/27/443162827.db2.gz OKRSJEGHBXQCFE-HNNXBMFYSA-N 2 2 342.447 1.619 20 30 EDEDLP C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261656089 443163052 /nfs/dbraw/zinc/16/30/52/443163052.db2.gz AEDSEDZWXOMDJW-TUAOUCFPSA-N 2 2 333.358 1.265 20 30 EDEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264129766 443251878 /nfs/dbraw/zinc/25/18/78/443251878.db2.gz XNRWQGXSIMOYAR-JKSUJKDBSA-N 2 2 333.480 1.136 20 30 EDEDLP Cn1c[nH+]cc1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000267781553 443575325 /nfs/dbraw/zinc/57/53/25/443575325.db2.gz NPROJWSUIUVHLI-UHFFFAOYSA-N 2 2 343.431 1.214 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283281630 443587779 /nfs/dbraw/zinc/58/77/79/443587779.db2.gz WGMFTMOYZVFXAN-AWEZNQCLSA-N 2 2 334.489 1.732 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283281630 443587783 /nfs/dbraw/zinc/58/77/83/443587783.db2.gz WGMFTMOYZVFXAN-AWEZNQCLSA-N 2 2 334.489 1.732 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000282011431 444062282 /nfs/dbraw/zinc/06/22/82/444062282.db2.gz OMIVFHXTAJVIAV-LJQANCHMSA-N 2 2 342.487 1.807 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000282011431 444062287 /nfs/dbraw/zinc/06/22/87/444062287.db2.gz OMIVFHXTAJVIAV-LJQANCHMSA-N 2 2 342.487 1.807 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCCO3)CC2)CC1 ZINC000328709962 444437018 /nfs/dbraw/zinc/43/70/18/444437018.db2.gz AOYJKPULPVHYMZ-KRWDZBQOSA-N 2 2 338.496 1.618 20 30 EDEDLP CC#CC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339750531 445167215 /nfs/dbraw/zinc/16/72/15/445167215.db2.gz DCGNNQRKFCOYRC-KRWDZBQOSA-N 2 2 343.471 1.479 20 30 EDEDLP CC#CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339750531 445167217 /nfs/dbraw/zinc/16/72/17/445167217.db2.gz DCGNNQRKFCOYRC-KRWDZBQOSA-N 2 2 343.471 1.479 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330822151 445154977 /nfs/dbraw/zinc/15/49/77/445154977.db2.gz GDYSAAFRJIRWPK-SFHVURJKSA-N 2 2 326.444 1.491 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330822151 445154980 /nfs/dbraw/zinc/15/49/80/445154980.db2.gz GDYSAAFRJIRWPK-SFHVURJKSA-N 2 2 326.444 1.491 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363147923 445696519 /nfs/dbraw/zinc/69/65/19/445696519.db2.gz CDEQMCFBINJHKH-SFHVURJKSA-N 2 2 345.491 1.840 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363147923 445696521 /nfs/dbraw/zinc/69/65/21/445696521.db2.gz CDEQMCFBINJHKH-SFHVURJKSA-N 2 2 345.491 1.840 20 30 EDEDLP C=CCOCC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435555199 446701017 /nfs/dbraw/zinc/70/10/17/446701017.db2.gz DQAHJCPITIPGDI-OAHLLOKOSA-N 2 2 332.448 1.576 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375528083 446874011 /nfs/dbraw/zinc/87/40/11/446874011.db2.gz IMUMLBIBEJXEJC-NVXWUHKLSA-N 2 2 328.460 1.921 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000368490160 446894572 /nfs/dbraw/zinc/89/45/72/446894572.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000368490160 446894577 /nfs/dbraw/zinc/89/45/77/446894577.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368490160 446894581 /nfs/dbraw/zinc/89/45/81/446894581.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368490160 446894583 /nfs/dbraw/zinc/89/45/83/446894583.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 2 343.471 1.347 20 30 EDEDLP C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371675594 446947910 /nfs/dbraw/zinc/94/79/10/446947910.db2.gz JEZQZXOUJOIHQS-CQSZACIVSA-N 2 2 326.510 1.373 20 30 EDEDLP C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371675594 446947914 /nfs/dbraw/zinc/94/79/14/446947914.db2.gz JEZQZXOUJOIHQS-CQSZACIVSA-N 2 2 326.510 1.373 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000414131272 447276016 /nfs/dbraw/zinc/27/60/16/447276016.db2.gz YUVWDCUFRSJPBJ-SNVBAGLBSA-N 2 2 327.310 1.656 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000414131272 447276018 /nfs/dbraw/zinc/27/60/18/447276018.db2.gz YUVWDCUFRSJPBJ-SNVBAGLBSA-N 2 2 327.310 1.656 20 30 EDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000491460800 448033377 /nfs/dbraw/zinc/03/33/77/448033377.db2.gz BAXGKZKKVHQMBL-HZPDHXFCSA-N 2 2 330.432 1.808 20 30 EDEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CC1 ZINC000491460800 448033381 /nfs/dbraw/zinc/03/33/81/448033381.db2.gz BAXGKZKKVHQMBL-HZPDHXFCSA-N 2 2 330.432 1.808 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573118 448496242 /nfs/dbraw/zinc/49/62/42/448496242.db2.gz GFILXJJIWVDYJN-ZDUSSCGKSA-N 2 2 331.420 1.358 20 30 EDEDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000517918758 448628450 /nfs/dbraw/zinc/62/84/50/448628450.db2.gz PCICJAKGGOMCKE-FQXVJMBOSA-N 2 2 344.459 2.000 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CCO2 ZINC000592184420 448727160 /nfs/dbraw/zinc/72/71/60/448727160.db2.gz KRHYCADFTPISLP-UHFFFAOYSA-N 2 2 328.416 1.293 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CCO2 ZINC000592184420 448727170 /nfs/dbraw/zinc/72/71/70/448727170.db2.gz KRHYCADFTPISLP-UHFFFAOYSA-N 2 2 328.416 1.293 20 30 EDEDLP N#CCC[C@@H](C#N)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000567683394 448737552 /nfs/dbraw/zinc/73/75/52/448737552.db2.gz MSSXUYWIWZFWSV-INIZCTEOSA-N 2 2 340.431 1.153 20 30 EDEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620656 449085679 /nfs/dbraw/zinc/08/56/79/449085679.db2.gz OEWGGEBNIQUSBP-IRXDYDNUSA-N 2 2 341.459 1.744 20 30 EDEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620656 449085682 /nfs/dbraw/zinc/08/56/82/449085682.db2.gz OEWGGEBNIQUSBP-IRXDYDNUSA-N 2 2 341.459 1.744 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000594441149 449520043 /nfs/dbraw/zinc/52/00/43/449520043.db2.gz NTNFMWIDIBAQDS-KRWDZBQOSA-N 2 2 325.416 1.959 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C#N)nc(C4CC4)n3)CC2)CC1 ZINC000601108372 449693314 /nfs/dbraw/zinc/69/33/14/449693314.db2.gz FNONHFPEWUTSLO-UHFFFAOYSA-N 2 2 340.475 2.196 20 30 EDEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809592 450342245 /nfs/dbraw/zinc/34/22/45/450342245.db2.gz HASFYITUYVEKAD-KSSFIOAISA-N 2 2 325.460 1.994 20 30 EDEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809592 450342252 /nfs/dbraw/zinc/34/22/52/450342252.db2.gz HASFYITUYVEKAD-KSSFIOAISA-N 2 2 325.460 1.994 20 30 EDEDLP C=CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128987 452808964 /nfs/dbraw/zinc/80/89/64/452808964.db2.gz DMQZUIGFTCLNPD-HZPDHXFCSA-N 2 2 338.496 1.387 20 30 EDEDLP C=CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128987 452808967 /nfs/dbraw/zinc/80/89/67/452808967.db2.gz DMQZUIGFTCLNPD-HZPDHXFCSA-N 2 2 338.496 1.387 20 30 EDEDLP Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000742356939 579449686 /nfs/dbraw/zinc/44/96/86/579449686.db2.gz KBRHWKYZABTQLO-LBPRGKRZSA-N 2 2 345.403 1.608 20 30 EDEDLP COCCCCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000742357136 579449737 /nfs/dbraw/zinc/44/97/37/579449737.db2.gz PFKJHSWXXMEZEE-UHFFFAOYSA-N 2 2 335.448 1.972 20 30 EDEDLP CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000747831215 579660028 /nfs/dbraw/zinc/66/00/28/579660028.db2.gz DRDXXHLBBAVPFK-UHFFFAOYSA-N 2 2 348.447 1.024 20 30 EDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000763949975 580109030 /nfs/dbraw/zinc/10/90/30/580109030.db2.gz NBDZIXCPBKSHEG-QGZVFWFLSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000763949975 580109031 /nfs/dbraw/zinc/10/90/31/580109031.db2.gz NBDZIXCPBKSHEG-QGZVFWFLSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112772 /nfs/dbraw/zinc/11/27/72/580112772.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112773 /nfs/dbraw/zinc/11/27/73/580112773.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112774 /nfs/dbraw/zinc/11/27/74/580112774.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112775 /nfs/dbraw/zinc/11/27/75/580112775.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000786124596 580662205 /nfs/dbraw/zinc/66/22/05/580662205.db2.gz HEMKKHOSKRTNEN-UYAOXDASSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000786124596 580662206 /nfs/dbraw/zinc/66/22/06/580662206.db2.gz HEMKKHOSKRTNEN-UYAOXDASSA-N 2 2 339.483 1.950 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(C#N)ccn1 ZINC000902796131 592064907 /nfs/dbraw/zinc/06/49/07/592064907.db2.gz JUYQSZJUIOWZIK-AWEZNQCLSA-N 2 2 329.448 1.547 20 30 EDEDLP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000904099158 592425085 /nfs/dbraw/zinc/42/50/85/592425085.db2.gz LHNNJVRAYZWMAO-HIJUSWDOSA-N 2 2 343.431 1.602 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620394 /nfs/dbraw/zinc/62/03/94/593620394.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 3 2 346.519 1.103 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620395 /nfs/dbraw/zinc/62/03/95/593620395.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 3 2 346.519 1.103 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620396 /nfs/dbraw/zinc/62/03/96/593620396.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 3 2 346.519 1.103 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620397 /nfs/dbraw/zinc/62/03/97/593620397.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 3 2 346.519 1.103 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000858493765 595809729 /nfs/dbraw/zinc/80/97/29/595809729.db2.gz GMPQLADGPQXGFH-UHFFFAOYSA-N 2 2 346.479 1.575 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000858493765 595809731 /nfs/dbraw/zinc/80/97/31/595809731.db2.gz GMPQLADGPQXGFH-UHFFFAOYSA-N 2 2 346.479 1.575 20 30 EDEDLP c1cn(-c2ccc(N=NC3CCC[N@H+]4CCSC[C@H]34)nn2)c[nH+]1 ZINC000872369713 596895985 /nfs/dbraw/zinc/89/59/85/596895985.db2.gz NTYWLWKTUQIUCM-CYBMUJFWSA-N 2 2 329.433 1.641 20 30 EDEDLP c1cn(-c2ccc(N=NC3CCC[N@@H+]4CCSC[C@H]34)nn2)c[nH+]1 ZINC000872369713 596895986 /nfs/dbraw/zinc/89/59/86/596895986.db2.gz NTYWLWKTUQIUCM-CYBMUJFWSA-N 2 2 329.433 1.641 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000883371598 597726237 /nfs/dbraw/zinc/72/62/37/597726237.db2.gz QTQVNHAFFPQUCM-SFHVURJKSA-N 2 2 346.450 1.584 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993817020 696389082 /nfs/dbraw/zinc/38/90/82/696389082.db2.gz BQRSJILDRQJBAO-DOTOQJQBSA-N 2 2 344.459 1.876 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993817020 696389085 /nfs/dbraw/zinc/38/90/85/696389085.db2.gz BQRSJILDRQJBAO-DOTOQJQBSA-N 2 2 344.459 1.876 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000941141968 701202409 /nfs/dbraw/zinc/20/24/09/701202409.db2.gz MHLWUZOROCOQFO-QGZVFWFLSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000941141968 701202412 /nfs/dbraw/zinc/20/24/12/701202412.db2.gz MHLWUZOROCOQFO-QGZVFWFLSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944119938 702284287 /nfs/dbraw/zinc/28/42/87/702284287.db2.gz CKQWSXDTQLFBSL-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944119938 702284290 /nfs/dbraw/zinc/28/42/90/702284290.db2.gz CKQWSXDTQLFBSL-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996102325 702520697 /nfs/dbraw/zinc/52/06/97/702520697.db2.gz UVSCERVVZUJNFN-DLBZAZTESA-N 2 2 337.508 1.890 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996102325 702520702 /nfs/dbraw/zinc/52/07/02/702520702.db2.gz UVSCERVVZUJNFN-DLBZAZTESA-N 2 2 337.508 1.890 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000996686547 702993209 /nfs/dbraw/zinc/99/32/09/702993209.db2.gz UULXLHVHOREARW-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000996686547 702993211 /nfs/dbraw/zinc/99/32/11/702993211.db2.gz UULXLHVHOREARW-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997183139 703468296 /nfs/dbraw/zinc/46/82/96/703468296.db2.gz CIFGTFGDYYMQAD-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051008 705252920 /nfs/dbraw/zinc/25/29/20/705252920.db2.gz KPBHKQQRPMWZFY-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051008 705252922 /nfs/dbraw/zinc/25/29/22/705252922.db2.gz KPBHKQQRPMWZFY-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694445 707149214 /nfs/dbraw/zinc/14/92/14/707149214.db2.gz XTXVWZYPYNMTCB-CALCHBBNSA-N 2 2 328.460 1.546 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694445 707149215 /nfs/dbraw/zinc/14/92/15/707149215.db2.gz XTXVWZYPYNMTCB-CALCHBBNSA-N 2 2 328.460 1.546 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044795045 707426962 /nfs/dbraw/zinc/42/69/62/707426962.db2.gz ZMDBAEQLIDHVLW-RHSMWYFYSA-N 2 2 337.427 1.993 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001033418332 707802473 /nfs/dbraw/zinc/80/24/73/707802473.db2.gz BTAXBCJYPFPUNX-APWZRJJASA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001033418332 707802477 /nfs/dbraw/zinc/80/24/77/707802477.db2.gz BTAXBCJYPFPUNX-APWZRJJASA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001033418332 707802480 /nfs/dbraw/zinc/80/24/80/707802480.db2.gz BTAXBCJYPFPUNX-APWZRJJASA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001033418332 707802484 /nfs/dbraw/zinc/80/24/84/707802484.db2.gz BTAXBCJYPFPUNX-APWZRJJASA-N 2 2 340.471 1.933 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033665553 708448915 /nfs/dbraw/zinc/44/89/15/708448915.db2.gz OPLIIRXRGKRNRE-LJQANCHMSA-N 2 2 336.439 1.776 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033665553 708448917 /nfs/dbraw/zinc/44/89/17/708448917.db2.gz OPLIIRXRGKRNRE-LJQANCHMSA-N 2 2 336.439 1.776 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001014768259 708989482 /nfs/dbraw/zinc/98/94/82/708989482.db2.gz ANDLQOYNZJAQCQ-CABCVRRESA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001014768259 708989483 /nfs/dbraw/zinc/98/94/83/708989483.db2.gz ANDLQOYNZJAQCQ-CABCVRRESA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001014768259 708989485 /nfs/dbraw/zinc/98/94/85/708989485.db2.gz ANDLQOYNZJAQCQ-CABCVRRESA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001014768259 708989487 /nfs/dbraw/zinc/98/94/87/708989487.db2.gz ANDLQOYNZJAQCQ-CABCVRRESA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034246587 709605452 /nfs/dbraw/zinc/60/54/52/709605452.db2.gz GSFNMHPENSRLQA-OALUTQOASA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034246587 709605454 /nfs/dbraw/zinc/60/54/54/709605454.db2.gz GSFNMHPENSRLQA-OALUTQOASA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccnc2)C1 ZINC001034246587 709605455 /nfs/dbraw/zinc/60/54/55/709605455.db2.gz GSFNMHPENSRLQA-OALUTQOASA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cccnc2)C1 ZINC001034246587 709605457 /nfs/dbraw/zinc/60/54/57/709605457.db2.gz GSFNMHPENSRLQA-OALUTQOASA-N 2 2 340.471 1.650 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001003056748 709906730 /nfs/dbraw/zinc/90/67/30/709906730.db2.gz RTIAFHWSPPLOMB-INIZCTEOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001003056748 709906733 /nfs/dbraw/zinc/90/67/33/709906733.db2.gz RTIAFHWSPPLOMB-INIZCTEOSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001032837230 710187586 /nfs/dbraw/zinc/18/75/86/710187586.db2.gz UWPUGXMVJCGNKR-CEXWTWQISA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001032837230 710187589 /nfs/dbraw/zinc/18/75/89/710187589.db2.gz UWPUGXMVJCGNKR-CEXWTWQISA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001032837230 710187593 /nfs/dbraw/zinc/18/75/93/710187593.db2.gz UWPUGXMVJCGNKR-CEXWTWQISA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001032837230 710187596 /nfs/dbraw/zinc/18/75/96/710187596.db2.gz UWPUGXMVJCGNKR-CEXWTWQISA-N 2 2 347.503 1.216 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609393 712062905 /nfs/dbraw/zinc/06/29/05/712062905.db2.gz HBTYXXKMLHGMGD-GOSISDBHSA-N 2 2 328.460 1.987 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004609393 712062908 /nfs/dbraw/zinc/06/29/08/712062908.db2.gz HBTYXXKMLHGMGD-GOSISDBHSA-N 2 2 328.460 1.987 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561042793 306281844 /nfs/dbraw/zinc/28/18/44/306281844.db2.gz NLAXKLATHSLKTA-INIZCTEOSA-N 2 2 326.444 1.544 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561042793 306281845 /nfs/dbraw/zinc/28/18/45/306281845.db2.gz NLAXKLATHSLKTA-INIZCTEOSA-N 2 2 326.444 1.544 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266827462 249348829 /nfs/dbraw/zinc/34/88/29/249348829.db2.gz KCDBRKLGJUSQLR-UHFFFAOYSA-N 2 2 343.471 1.899 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373548158 250239883 /nfs/dbraw/zinc/23/98/83/250239883.db2.gz OWADIEQNRDROCR-GOSISDBHSA-N 2 2 333.476 1.234 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373548158 250239888 /nfs/dbraw/zinc/23/98/88/250239888.db2.gz OWADIEQNRDROCR-GOSISDBHSA-N 2 2 333.476 1.234 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000571189333 306560380 /nfs/dbraw/zinc/56/03/80/306560380.db2.gz PBKYCEUBZVICKA-JFIYKMOQSA-N 2 2 347.459 1.387 20 30 EDEDLP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000339699484 142124577 /nfs/dbraw/zinc/12/45/77/142124577.db2.gz OCXLVRNJEOAWOQ-INIZCTEOSA-N 2 2 344.459 1.169 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1F ZINC000358305000 151331199 /nfs/dbraw/zinc/33/11/99/151331199.db2.gz HENZEXZQMJWPOS-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1F ZINC000358305000 151331200 /nfs/dbraw/zinc/33/12/00/151331200.db2.gz HENZEXZQMJWPOS-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374271466 157221880 /nfs/dbraw/zinc/22/18/80/157221880.db2.gz UARRCSVOCJNMOT-HNNXBMFYSA-N 2 2 326.444 1.799 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374271466 157221883 /nfs/dbraw/zinc/22/18/83/157221883.db2.gz UARRCSVOCJNMOT-HNNXBMFYSA-N 2 2 326.444 1.799 20 30 EDEDLP C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000556964099 306222102 /nfs/dbraw/zinc/22/21/02/306222102.db2.gz BIQDAZVQRYTNQI-LLVKDONJSA-N 2 2 339.346 1.266 20 30 EDEDLP C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000556964099 306222103 /nfs/dbraw/zinc/22/21/03/306222103.db2.gz BIQDAZVQRYTNQI-LLVKDONJSA-N 2 2 339.346 1.266 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000449389762 447372258 /nfs/dbraw/zinc/37/22/58/447372258.db2.gz TYXREQGPDIHELF-HXUWFJFHSA-N 2 2 342.487 1.963 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000449389762 447372268 /nfs/dbraw/zinc/37/22/68/447372268.db2.gz TYXREQGPDIHELF-HXUWFJFHSA-N 2 2 342.487 1.963 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717152 441200896 /nfs/dbraw/zinc/20/08/96/441200896.db2.gz IHUJJRRNLDEUQA-MRXNPFEDSA-N 2 2 344.459 1.801 20 30 EDEDLP C#CCC[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000091480514 441705263 /nfs/dbraw/zinc/70/52/63/441705263.db2.gz DMKBVYQHXRBSFU-UHFFFAOYSA-N 2 2 341.415 1.375 20 30 EDEDLP CN(CC[N@H+](C)CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000177373102 442333107 /nfs/dbraw/zinc/33/31/07/442333107.db2.gz OKOFAVZMWZEPTR-UHFFFAOYSA-N 2 2 349.523 1.287 20 30 EDEDLP CN(CC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000177373102 442333110 /nfs/dbraw/zinc/33/31/10/442333110.db2.gz OKOFAVZMWZEPTR-UHFFFAOYSA-N 2 2 349.523 1.287 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000177373102 442333111 /nfs/dbraw/zinc/33/31/11/442333111.db2.gz OKOFAVZMWZEPTR-UHFFFAOYSA-N 2 2 349.523 1.287 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000177373102 442333115 /nfs/dbraw/zinc/33/31/15/442333115.db2.gz OKOFAVZMWZEPTR-UHFFFAOYSA-N 2 2 349.523 1.287 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154756000 442355657 /nfs/dbraw/zinc/35/56/57/442355657.db2.gz RCRSMPPIPMCZLU-INIZCTEOSA-N 2 2 336.480 1.442 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154756000 442355660 /nfs/dbraw/zinc/35/56/60/442355660.db2.gz RCRSMPPIPMCZLU-INIZCTEOSA-N 2 2 336.480 1.442 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCCC(C)(C)C)cc1 ZINC000268586316 443043308 /nfs/dbraw/zinc/04/33/08/443043308.db2.gz OGAZAOCZCQVGRA-UHFFFAOYSA-N 2 2 334.464 1.938 20 30 EDEDLP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262262852 443188141 /nfs/dbraw/zinc/18/81/41/443188141.db2.gz FEBGWXQKTZMJNM-OWCLPIDISA-N 2 2 348.495 1.598 20 30 EDEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610995202 450400324 /nfs/dbraw/zinc/40/03/24/450400324.db2.gz ZCWVECDSPGPAFY-UHFFFAOYSA-N 2 2 327.476 1.944 20 30 EDEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610995202 450400326 /nfs/dbraw/zinc/40/03/26/450400326.db2.gz ZCWVECDSPGPAFY-UHFFFAOYSA-N 2 2 327.476 1.944 20 30 EDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCOC1 ZINC000262832347 443213835 /nfs/dbraw/zinc/21/38/35/443213835.db2.gz RUJSDEDPNUJUHQ-AWEZNQCLSA-N 2 2 331.395 1.713 20 30 EDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(-c2ccc(C#N)cc2)n1 ZINC000272165188 443545584 /nfs/dbraw/zinc/54/55/84/443545584.db2.gz ONVCRYCUGIDKBL-GOSISDBHSA-N 2 2 338.459 1.294 20 30 EDEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(-c2ccc(C#N)cc2)n1 ZINC000272165188 443545588 /nfs/dbraw/zinc/54/55/88/443545588.db2.gz ONVCRYCUGIDKBL-GOSISDBHSA-N 2 2 338.459 1.294 20 30 EDEDLP C[C@@H]1C[NH+]=C(NCCCCN2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000284962284 443799262 /nfs/dbraw/zinc/79/92/62/443799262.db2.gz FLONGLTUNHSQIY-QGZVFWFLSA-N 2 2 329.492 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388462 443897475 /nfs/dbraw/zinc/89/74/75/443897475.db2.gz PPPCMDOUCYKUCR-JKSUJKDBSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388462 443897479 /nfs/dbraw/zinc/89/74/79/443897479.db2.gz PPPCMDOUCYKUCR-JKSUJKDBSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388462 443897483 /nfs/dbraw/zinc/89/74/83/443897483.db2.gz PPPCMDOUCYKUCR-JKSUJKDBSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388462 443897485 /nfs/dbraw/zinc/89/74/85/443897485.db2.gz PPPCMDOUCYKUCR-JKSUJKDBSA-N 2 2 348.516 1.992 20 30 EDEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301647967 444183706 /nfs/dbraw/zinc/18/37/06/444183706.db2.gz IPKLEZSXGVOYHA-UHFFFAOYSA-N 2 2 329.448 1.170 20 30 EDEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301647967 444183708 /nfs/dbraw/zinc/18/37/08/444183708.db2.gz IPKLEZSXGVOYHA-UHFFFAOYSA-N 2 2 329.448 1.170 20 30 EDEDLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000328873386 444383502 /nfs/dbraw/zinc/38/35/02/444383502.db2.gz RARDZURYDNESKE-INIZCTEOSA-N 2 2 347.463 1.406 20 30 EDEDLP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000328873386 444383504 /nfs/dbraw/zinc/38/35/04/444383504.db2.gz RARDZURYDNESKE-INIZCTEOSA-N 2 2 347.463 1.406 20 30 EDEDLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329288087 444522278 /nfs/dbraw/zinc/52/22/78/444522278.db2.gz HPRHDOODCIJJHF-OAHLLOKOSA-N 2 2 329.448 1.922 20 30 EDEDLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329288087 444522281 /nfs/dbraw/zinc/52/22/81/444522281.db2.gz HPRHDOODCIJJHF-OAHLLOKOSA-N 2 2 329.448 1.922 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329537019 444619946 /nfs/dbraw/zinc/61/99/46/444619946.db2.gz BJFLDDRPWMUFSH-OWCLPIDISA-N 2 2 347.463 1.155 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329537019 444619950 /nfs/dbraw/zinc/61/99/50/444619950.db2.gz BJFLDDRPWMUFSH-OWCLPIDISA-N 2 2 347.463 1.155 20 30 EDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696652 445245423 /nfs/dbraw/zinc/24/54/23/445245423.db2.gz CALSBKWSWFZABK-FUHWJXTLSA-N 2 2 342.443 1.739 20 30 EDEDLP N#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738103 445476163 /nfs/dbraw/zinc/47/61/63/445476163.db2.gz HHZYTTQFASQLHM-IBGZPJMESA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738103 445476168 /nfs/dbraw/zinc/47/61/68/445476168.db2.gz HHZYTTQFASQLHM-IBGZPJMESA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355738103 445476171 /nfs/dbraw/zinc/47/61/71/445476171.db2.gz HHZYTTQFASQLHM-IBGZPJMESA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738103 445476174 /nfs/dbraw/zinc/47/61/74/445476174.db2.gz HHZYTTQFASQLHM-IBGZPJMESA-N 2 2 326.444 1.614 20 30 EDEDLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C#N)cc1F ZINC000358574269 445657785 /nfs/dbraw/zinc/65/77/85/445657785.db2.gz RSEUAQAZUPOPFE-INIZCTEOSA-N 2 2 348.466 1.738 20 30 EDEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212222 446084536 /nfs/dbraw/zinc/08/45/36/446084536.db2.gz VVMCURKFFGCSIX-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212222 446084543 /nfs/dbraw/zinc/08/45/43/446084543.db2.gz VVMCURKFFGCSIX-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212222 446084549 /nfs/dbraw/zinc/08/45/49/446084549.db2.gz VVMCURKFFGCSIX-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000366212222 446084554 /nfs/dbraw/zinc/08/45/54/446084554.db2.gz VVMCURKFFGCSIX-MSOLQXFVSA-N 2 2 326.444 1.591 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000370065264 446181303 /nfs/dbraw/zinc/18/13/03/446181303.db2.gz YOHKSGPNIMTRHJ-OAHLLOKOSA-N 2 2 328.420 1.255 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000370065264 446181307 /nfs/dbraw/zinc/18/13/07/446181307.db2.gz YOHKSGPNIMTRHJ-OAHLLOKOSA-N 2 2 328.420 1.255 20 30 EDEDLP COc1cc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)ccc1C#N ZINC000440807286 446855947 /nfs/dbraw/zinc/85/59/47/446855947.db2.gz JGARMIOSNABDQL-UHFFFAOYSA-N 2 2 346.475 1.047 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000491166424 447945815 /nfs/dbraw/zinc/94/58/15/447945815.db2.gz ROEDUAIXHZBLIS-HNNXBMFYSA-N 2 2 337.489 1.543 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000491166424 447945819 /nfs/dbraw/zinc/94/58/19/447945819.db2.gz ROEDUAIXHZBLIS-HNNXBMFYSA-N 2 2 337.489 1.543 20 30 EDEDLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000554552182 448034033 /nfs/dbraw/zinc/03/40/33/448034033.db2.gz ISQWAXPJCBMCNO-MRXNPFEDSA-N 2 2 327.432 1.511 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000491746260 448100706 /nfs/dbraw/zinc/10/07/06/448100706.db2.gz USGURZFORASBKE-GOSISDBHSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000491746260 448100712 /nfs/dbraw/zinc/10/07/12/448100712.db2.gz USGURZFORASBKE-GOSISDBHSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000491746260 448100719 /nfs/dbraw/zinc/10/07/19/448100719.db2.gz USGURZFORASBKE-GOSISDBHSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000491746260 448100728 /nfs/dbraw/zinc/10/07/28/448100728.db2.gz USGURZFORASBKE-GOSISDBHSA-N 2 2 327.472 1.983 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000527297950 448204851 /nfs/dbraw/zinc/20/48/51/448204851.db2.gz JIDDMAPKPCZURS-AWEZNQCLSA-N 2 2 327.432 1.909 20 30 EDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000566308665 448441824 /nfs/dbraw/zinc/44/18/24/448441824.db2.gz JVDAUKYAZZIZJF-INIZCTEOSA-N 2 2 348.357 1.779 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578999573 448690358 /nfs/dbraw/zinc/69/03/58/448690358.db2.gz MJDQYCKOFDSMJA-CVEARBPZSA-N 2 2 326.400 1.293 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000601980466 449261586 /nfs/dbraw/zinc/26/15/86/449261586.db2.gz JYWVADQGARJEIA-AWEZNQCLSA-N 2 2 325.420 1.566 20 30 EDEDLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000611387171 449278605 /nfs/dbraw/zinc/27/86/05/449278605.db2.gz GAKOSGJZSSMPOE-OAHLLOKOSA-N 2 2 344.459 1.436 20 30 EDEDLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000610508064 450248606 /nfs/dbraw/zinc/24/86/06/450248606.db2.gz HFNXQONJNCCHAS-OAHLLOKOSA-N 2 2 343.475 1.944 20 30 EDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000115548536 486876461 /nfs/dbraw/zinc/87/64/61/486876461.db2.gz GDWNIOBQOURWDB-GOSISDBHSA-N 2 2 347.459 1.077 20 30 EDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000115548536 486876466 /nfs/dbraw/zinc/87/64/66/486876466.db2.gz GDWNIOBQOURWDB-GOSISDBHSA-N 2 2 347.459 1.077 20 30 EDEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000106245093 526602147 /nfs/dbraw/zinc/60/21/47/526602147.db2.gz UGLSCMOZWUBTRU-UHFFFAOYSA-N 2 2 347.507 1.695 20 30 EDEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731453393 578675112 /nfs/dbraw/zinc/67/51/12/578675112.db2.gz JNDBQUJOLMOITF-UHFFFAOYSA-N 2 2 343.471 1.731 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccccc2CC#N)CC1 ZINC000777408796 580441044 /nfs/dbraw/zinc/44/10/44/580441044.db2.gz CYSDQGNWVORJPW-UHFFFAOYSA-N 2 2 328.460 1.437 20 30 EDEDLP COC(=O)CCC[NH+]1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753941097 579891764 /nfs/dbraw/zinc/89/17/64/579891764.db2.gz WTAZVUUEKCZUOF-GJZGRUSLSA-N 2 2 335.452 1.251 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc(F)cc3F)cn2)CC1 ZINC000755684063 579932513 /nfs/dbraw/zinc/93/25/13/579932513.db2.gz YVFDQTFNYHAPHE-UHFFFAOYSA-N 2 2 346.385 1.630 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000799488123 581029218 /nfs/dbraw/zinc/02/92/18/581029218.db2.gz NSZKKSIKWBMTOK-UHFFFAOYSA-N 3 2 345.491 1.084 20 30 EDEDLP C[C@@H]1[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@@H+]1C ZINC000905003149 592363500 /nfs/dbraw/zinc/36/35/00/592363500.db2.gz VSCWAVWFLPSXDP-OLZOCXBDSA-N 2 2 339.443 1.739 20 30 EDEDLP C[C@@H]1[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@H+]1C ZINC000905003149 592363504 /nfs/dbraw/zinc/36/35/04/592363504.db2.gz VSCWAVWFLPSXDP-OLZOCXBDSA-N 2 2 339.443 1.739 20 30 EDEDLP C#CCCC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819116704 593739828 /nfs/dbraw/zinc/73/98/28/593739828.db2.gz XUELLCMBBBZDAK-GOSISDBHSA-N 2 2 331.460 1.181 20 30 EDEDLP CN(C)C(NCc1ccccc1)=[NH+]CC(C)(C)[NH+]1CCN(C)CC1 ZINC000849055648 595476034 /nfs/dbraw/zinc/47/60/34/595476034.db2.gz SUHTVWBFCRVDOE-UHFFFAOYSA-N 2 2 331.508 1.720 20 30 EDEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000878557625 597634840 /nfs/dbraw/zinc/63/48/40/597634840.db2.gz KQTASWOLOREMIR-UHFFFAOYSA-N 2 2 341.459 1.149 20 30 EDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884190147 598020322 /nfs/dbraw/zinc/02/03/22/598020322.db2.gz XAQOYZVHPRLMLS-NWPKHEMWSA-N 2 2 329.448 1.553 20 30 EDEDLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994507636 696946175 /nfs/dbraw/zinc/94/61/75/696946175.db2.gz OAMAPLVPIXKDNN-CRAIPNDOSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994507636 696946176 /nfs/dbraw/zinc/94/61/76/696946176.db2.gz OAMAPLVPIXKDNN-CRAIPNDOSA-N 2 2 337.427 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ccc2F)C1 ZINC001031741299 698314191 /nfs/dbraw/zinc/31/41/91/698314191.db2.gz VSCWXAXTVYFDMC-IBGZPJMESA-N 2 2 343.446 1.780 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ccc2F)C1 ZINC001031741299 698314194 /nfs/dbraw/zinc/31/41/94/698314194.db2.gz VSCWXAXTVYFDMC-IBGZPJMESA-N 2 2 343.446 1.780 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000939209249 699355376 /nfs/dbraw/zinc/35/53/76/699355376.db2.gz FUHPAIDLPWDKRF-YVEFUNNKSA-N 2 2 341.390 1.600 20 30 EDEDLP N#Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997041749 703291998 /nfs/dbraw/zinc/29/19/98/703291998.db2.gz NEUVIVDNAQTVSR-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2CC)C1 ZINC000999399790 706894559 /nfs/dbraw/zinc/89/45/59/706894559.db2.gz RCPICYOEIBZAEW-IRXDYDNUSA-N 2 2 343.475 1.081 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2CC)C1 ZINC000999399790 706894563 /nfs/dbraw/zinc/89/45/63/706894563.db2.gz RCPICYOEIBZAEW-IRXDYDNUSA-N 2 2 343.475 1.081 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001757796 708281708 /nfs/dbraw/zinc/28/17/08/708281708.db2.gz XTTJJUMFQAGCOT-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001757796 708281710 /nfs/dbraw/zinc/28/17/10/708281710.db2.gz XTTJJUMFQAGCOT-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138815 708675737 /nfs/dbraw/zinc/67/57/37/708675737.db2.gz PHCBPXYUCAXCBG-OAHLLOKOSA-N 2 2 329.872 1.288 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138815 708675739 /nfs/dbraw/zinc/67/57/39/708675739.db2.gz PHCBPXYUCAXCBG-OAHLLOKOSA-N 2 2 329.872 1.288 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034013614 709227673 /nfs/dbraw/zinc/22/76/73/709227673.db2.gz DWQGBWKTRIKAMM-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034013614 709227678 /nfs/dbraw/zinc/22/76/78/709227678.db2.gz DWQGBWKTRIKAMM-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003624906 710454259 /nfs/dbraw/zinc/45/42/59/710454259.db2.gz XRPNBWFGKBDGRO-ZDUSSCGKSA-N 2 2 344.297 1.960 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003624906 710454260 /nfs/dbraw/zinc/45/42/60/710454260.db2.gz XRPNBWFGKBDGRO-ZDUSSCGKSA-N 2 2 344.297 1.960 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475964 711855441 /nfs/dbraw/zinc/85/54/41/711855441.db2.gz VZQJTLXMOBDPMF-QZTJIDSGSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475964 711855443 /nfs/dbraw/zinc/85/54/43/711855443.db2.gz VZQJTLXMOBDPMF-QZTJIDSGSA-N 2 2 340.471 1.782 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000332875903 539611066 /nfs/dbraw/zinc/61/10/66/539611066.db2.gz ACYCIIDSCGKTMU-PBHICJAKSA-N 2 2 333.480 1.536 20 30 EDEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264070478 249330807 /nfs/dbraw/zinc/33/08/07/249330807.db2.gz RRGNEAZMYCGFPR-GOSISDBHSA-N 2 2 342.443 1.846 20 30 EDEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264070478 249330808 /nfs/dbraw/zinc/33/08/08/249330808.db2.gz RRGNEAZMYCGFPR-GOSISDBHSA-N 2 2 342.443 1.846 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356412425 250125184 /nfs/dbraw/zinc/12/51/84/250125184.db2.gz CRLOCPPSZRBCRS-STQMWFEESA-N 2 2 347.463 1.485 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(C3CC[NH+](CCC)CC3)CC2)C1=O ZINC000374152210 250253920 /nfs/dbraw/zinc/25/39/20/250253920.db2.gz WGRWLEKVXCNAEC-SFHVURJKSA-N 2 2 334.508 1.265 20 30 EDEDLP Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCOCC2)c1 ZINC000424125569 252131241 /nfs/dbraw/zinc/13/12/41/252131241.db2.gz AHXPOVNKMXFVDP-ROUUACIJSA-N 2 2 344.459 1.506 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000424131422 252133479 /nfs/dbraw/zinc/13/34/79/252133479.db2.gz GNLPRBGUOSOFMD-QGZVFWFLSA-N 2 2 330.432 1.156 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246414878 285039354 /nfs/dbraw/zinc/03/93/54/285039354.db2.gz BUSIIFAFCFFTHK-NUJGCVRESA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246414878 285039356 /nfs/dbraw/zinc/03/93/56/285039356.db2.gz BUSIIFAFCFFTHK-NUJGCVRESA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246414878 285039358 /nfs/dbraw/zinc/03/93/58/285039358.db2.gz BUSIIFAFCFFTHK-NUJGCVRESA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246414878 285039361 /nfs/dbraw/zinc/03/93/61/285039361.db2.gz BUSIIFAFCFFTHK-NUJGCVRESA-N 2 2 332.492 1.943 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369444188 155036948 /nfs/dbraw/zinc/03/69/48/155036948.db2.gz AGPLXDYZXCLTQB-VQIMIIECSA-N 2 2 328.460 1.567 20 30 EDEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369444188 155036951 /nfs/dbraw/zinc/03/69/51/155036951.db2.gz AGPLXDYZXCLTQB-VQIMIIECSA-N 2 2 328.460 1.567 20 30 EDEDLP C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282516433 267244114 /nfs/dbraw/zinc/24/41/14/267244114.db2.gz ZIELWPMXLBNOKU-KDOFPFPSSA-N 2 2 326.444 1.779 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000425856519 447339155 /nfs/dbraw/zinc/33/91/55/447339155.db2.gz OIMPZDNBNPPYBR-RDJZCZTQSA-N 2 2 338.496 1.245 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000425856519 447339162 /nfs/dbraw/zinc/33/91/62/447339162.db2.gz OIMPZDNBNPPYBR-RDJZCZTQSA-N 2 2 338.496 1.245 20 30 EDEDLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCOCC1 ZINC000083030624 441346963 /nfs/dbraw/zinc/34/69/63/441346963.db2.gz GGKMTZJSKMCDTD-IRXDYDNUSA-N 2 2 346.475 1.771 20 30 EDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000115541650 441752190 /nfs/dbraw/zinc/75/21/90/441752190.db2.gz DXOFRUNHHOLWPK-SFHVURJKSA-N 2 2 326.444 1.892 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C#N)cs3)CC2)CC1 ZINC000177448441 442342236 /nfs/dbraw/zinc/34/22/36/442342236.db2.gz WVEWVQWEUVWAOF-UHFFFAOYSA-N 2 2 332.473 1.908 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000192787541 442686298 /nfs/dbraw/zinc/68/62/98/442686298.db2.gz MZDJBQLEMGGGMG-IAGOWNOFSA-N 2 2 341.459 1.792 20 30 EDEDLP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963787 443176197 /nfs/dbraw/zinc/17/61/97/443176197.db2.gz KYGBDHKSJRRZNR-RDJZCZTQSA-N 3 2 343.479 1.937 20 30 EDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000261629121 443161474 /nfs/dbraw/zinc/16/14/74/443161474.db2.gz CGACNFZPZIUWJR-SFHVURJKSA-N 3 2 327.476 1.844 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992192 450400823 /nfs/dbraw/zinc/40/08/23/450400823.db2.gz KEQOSIMVEFKRTJ-CALCHBBNSA-N 2 2 327.476 1.944 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992192 450400828 /nfs/dbraw/zinc/40/08/28/450400828.db2.gz KEQOSIMVEFKRTJ-CALCHBBNSA-N 2 2 327.476 1.944 20 30 EDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286055310 443636128 /nfs/dbraw/zinc/63/61/28/443636128.db2.gz LEQWQFOZNLBMNB-IBGZPJMESA-N 2 2 327.476 1.362 20 30 EDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286055310 443636130 /nfs/dbraw/zinc/63/61/30/443636130.db2.gz LEQWQFOZNLBMNB-IBGZPJMESA-N 2 2 327.476 1.362 20 30 EDEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000276568595 443749756 /nfs/dbraw/zinc/74/97/56/443749756.db2.gz BMUDXSLHXVKPCP-ICSRJNTNSA-N 2 2 338.455 1.869 20 30 EDEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000276568595 443749762 /nfs/dbraw/zinc/74/97/62/443749762.db2.gz BMUDXSLHXVKPCP-ICSRJNTNSA-N 2 2 338.455 1.869 20 30 EDEDLP CC1(C)CC(=O)C(=CNNc2ccc(-n3cc[nH+]c3)n[nH+]2)C(=O)C1 ZINC000284981890 443807224 /nfs/dbraw/zinc/80/72/24/443807224.db2.gz FXWIEPFCOUPZSN-UHFFFAOYSA-N 2 2 326.360 1.421 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388451 443897875 /nfs/dbraw/zinc/89/78/75/443897875.db2.gz PPPCMDOUCYKUCR-HOTGVXAUSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388451 443897877 /nfs/dbraw/zinc/89/78/77/443897877.db2.gz PPPCMDOUCYKUCR-HOTGVXAUSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388451 443897879 /nfs/dbraw/zinc/89/78/79/443897879.db2.gz PPPCMDOUCYKUCR-HOTGVXAUSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388451 443897882 /nfs/dbraw/zinc/89/78/82/443897882.db2.gz PPPCMDOUCYKUCR-HOTGVXAUSA-N 2 2 348.516 1.992 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000289767710 444200934 /nfs/dbraw/zinc/20/09/34/444200934.db2.gz LYTWHBSMPSHBRB-MRXNPFEDSA-N 2 2 347.434 1.996 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000289767710 444200936 /nfs/dbraw/zinc/20/09/36/444200936.db2.gz LYTWHBSMPSHBRB-MRXNPFEDSA-N 2 2 347.434 1.996 20 30 EDEDLP C#Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000297714762 444322807 /nfs/dbraw/zinc/32/28/07/444322807.db2.gz SDFFEUMGDDLZNB-UHFFFAOYSA-N 2 2 342.487 1.835 20 30 EDEDLP C#Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000297714762 444322808 /nfs/dbraw/zinc/32/28/08/444322808.db2.gz SDFFEUMGDDLZNB-UHFFFAOYSA-N 2 2 342.487 1.835 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CC1 ZINC000328829550 444367393 /nfs/dbraw/zinc/36/73/93/444367393.db2.gz KEORXOFTZJJTJY-YESZJQIVSA-N 2 2 339.480 1.696 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CC1 ZINC000328829550 444367398 /nfs/dbraw/zinc/36/73/98/444367398.db2.gz KEORXOFTZJJTJY-YESZJQIVSA-N 2 2 339.480 1.696 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1C#N ZINC000349853773 445699352 /nfs/dbraw/zinc/69/93/52/445699352.db2.gz NEPYFZHLSRHZJB-UHFFFAOYSA-N 2 2 327.436 1.317 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206346 445720457 /nfs/dbraw/zinc/72/04/57/445720457.db2.gz HZTJIXQPOHYKKJ-UHFFFAOYSA-N 2 2 336.480 1.324 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206346 445720461 /nfs/dbraw/zinc/72/04/61/445720461.db2.gz HZTJIXQPOHYKKJ-UHFFFAOYSA-N 2 2 336.480 1.324 20 30 EDEDLP C=CC[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000364136334 445896666 /nfs/dbraw/zinc/89/66/66/445896666.db2.gz QALSACQAYYUJRP-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=CC[N@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000364136334 445896671 /nfs/dbraw/zinc/89/66/71/445896671.db2.gz QALSACQAYYUJRP-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000364136334 445896673 /nfs/dbraw/zinc/89/66/73/445896673.db2.gz QALSACQAYYUJRP-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C=CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000364136334 445896679 /nfs/dbraw/zinc/89/66/79/445896679.db2.gz QALSACQAYYUJRP-SFHVURJKSA-N 2 2 331.460 1.512 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000369601244 446134395 /nfs/dbraw/zinc/13/43/95/446134395.db2.gz YVUSGWKQNFKHOS-FQEVSTJZSA-N 2 2 341.455 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000369592662 446134477 /nfs/dbraw/zinc/13/44/77/446134477.db2.gz QULCWFSEUIDDQX-KRWDZBQOSA-N 2 2 340.471 1.902 20 30 EDEDLP C=CCCOCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367542193 446560699 /nfs/dbraw/zinc/56/06/99/446560699.db2.gz MSFQVMUKBMCLIF-MRXNPFEDSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCCOCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367542193 446560705 /nfs/dbraw/zinc/56/07/05/446560705.db2.gz MSFQVMUKBMCLIF-MRXNPFEDSA-N 2 2 338.496 1.389 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000563346963 448296093 /nfs/dbraw/zinc/29/60/93/448296093.db2.gz HYTMXKDNBABBOD-OAHLLOKOSA-N 2 2 331.395 1.307 20 30 EDEDLP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000566490960 448491681 /nfs/dbraw/zinc/49/16/81/448491681.db2.gz MHALFRJJDQOERM-CABCVRRESA-N 2 2 331.416 1.004 20 30 EDEDLP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000566490960 448491689 /nfs/dbraw/zinc/49/16/89/448491689.db2.gz MHALFRJJDQOERM-CABCVRRESA-N 2 2 331.416 1.004 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CC#N)CC2)C1 ZINC000542878631 448729971 /nfs/dbraw/zinc/72/99/71/448729971.db2.gz JAXABONSRCZKSD-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CC#N)CC2)C1 ZINC000542878631 448729975 /nfs/dbraw/zinc/72/99/75/448729975.db2.gz JAXABONSRCZKSD-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(C#N)nc3)c2)CC1 ZINC000601799285 449160867 /nfs/dbraw/zinc/16/08/67/449160867.db2.gz XOYAUBUXNMTLOZ-UHFFFAOYSA-N 2 2 336.399 1.281 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(CCC#N)CC3)c2cc1C ZINC000611175730 449202167 /nfs/dbraw/zinc/20/21/67/449202167.db2.gz JANFUMBKAAPDGK-QGZVFWFLSA-N 2 2 341.459 1.545 20 30 EDEDLP N#CCN1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000602456424 449603822 /nfs/dbraw/zinc/60/38/22/449603822.db2.gz XHLWZFRORVZKAM-UHFFFAOYSA-N 2 2 344.459 1.039 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c(-c2ccccc2)n1 ZINC000599019564 449700574 /nfs/dbraw/zinc/70/05/74/449700574.db2.gz RRLCUKWUNUCZAP-SFHVURJKSA-N 2 2 339.443 1.620 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c(-c2ccccc2)n1 ZINC000599019564 449700577 /nfs/dbraw/zinc/70/05/77/449700577.db2.gz RRLCUKWUNUCZAP-SFHVURJKSA-N 2 2 339.443 1.620 20 30 EDEDLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)cc1 ZINC000602868014 449878189 /nfs/dbraw/zinc/87/81/89/449878189.db2.gz GXJOCJCZYSYETI-INIZCTEOSA-N 2 2 344.459 1.621 20 30 EDEDLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)cc1 ZINC000602868014 449878193 /nfs/dbraw/zinc/87/81/93/449878193.db2.gz GXJOCJCZYSYETI-INIZCTEOSA-N 2 2 344.459 1.621 20 30 EDEDLP CC#CC[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000641766744 452243319 /nfs/dbraw/zinc/24/33/19/452243319.db2.gz BBBHXMQMABRSGU-GOSISDBHSA-N 2 2 332.444 1.262 20 30 EDEDLP C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821222 527099712 /nfs/dbraw/zinc/09/97/12/527099712.db2.gz AKISQIAALBHIFH-LJQANCHMSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821222 527099716 /nfs/dbraw/zinc/09/97/16/527099716.db2.gz AKISQIAALBHIFH-LJQANCHMSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821258 527126203 /nfs/dbraw/zinc/12/62/03/527126203.db2.gz OSVFZXDDBYZYTQ-GOSISDBHSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821258 527126206 /nfs/dbraw/zinc/12/62/06/527126206.db2.gz OSVFZXDDBYZYTQ-GOSISDBHSA-N 2 2 341.455 1.437 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154015276 527610126 /nfs/dbraw/zinc/61/01/26/527610126.db2.gz LSZNKXINBHXEMF-RTBURBONSA-N 2 2 348.535 1.677 20 30 EDEDLP CN(C)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cc1F ZINC000731930898 578684497 /nfs/dbraw/zinc/68/44/97/578684497.db2.gz RBSYYKYQIMUJPH-UHFFFAOYSA-N 2 2 325.457 1.641 20 30 EDEDLP N#Cc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)n1 ZINC000760912621 580041414 /nfs/dbraw/zinc/04/14/14/580041414.db2.gz BQCFWDJHEDDWOW-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP C=CC[NH+]1CCC(Nc2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000735430108 578884214 /nfs/dbraw/zinc/88/42/14/578884214.db2.gz YOWMEMFFTYVLFW-UHFFFAOYSA-N 2 2 325.420 1.813 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000764493310 580121787 /nfs/dbraw/zinc/12/17/87/580121787.db2.gz GDRSXMOGVXUTNI-GOSISDBHSA-N 2 2 345.487 1.854 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1C ZINC000896655240 591566406 /nfs/dbraw/zinc/56/64/06/591566406.db2.gz VZJFCGMILADWFX-HNNXBMFYSA-N 2 2 339.447 1.829 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1C ZINC000896655240 591566410 /nfs/dbraw/zinc/56/64/10/591566410.db2.gz VZJFCGMILADWFX-HNNXBMFYSA-N 2 2 339.447 1.829 20 30 EDEDLP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895131175 591606432 /nfs/dbraw/zinc/60/64/32/591606432.db2.gz GTWSZSUCVUITIN-INIZCTEOSA-N 2 2 339.480 1.339 20 30 EDEDLP C[NH+]1CCC(C/[NH+]=C/c2cccc(O)c2O)(N2CCOCC2)CC1 ZINC000840709486 591682562 /nfs/dbraw/zinc/68/25/62/591682562.db2.gz DLCWUBNSQUAVIQ-CPNJWEJPSA-N 2 2 333.432 1.313 20 30 EDEDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000903087274 592117959 /nfs/dbraw/zinc/11/79/59/592117959.db2.gz FDBLAQODTSKZHT-WMZOPIPTSA-N 2 2 343.475 1.400 20 30 EDEDLP CO[C@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000818076159 593664471 /nfs/dbraw/zinc/66/44/71/593664471.db2.gz DAKPEARVARJBQY-QGZVFWFLSA-N 2 2 333.432 1.581 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000829672516 594237927 /nfs/dbraw/zinc/23/79/27/594237927.db2.gz GBLOIBPDUVCFIM-SJORKVTESA-N 2 2 335.492 1.337 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844364367 595330521 /nfs/dbraw/zinc/33/05/21/595330521.db2.gz BULMXXLILTXTHB-SFHVURJKSA-N 2 2 344.459 1.124 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844364367 595330524 /nfs/dbraw/zinc/33/05/24/595330524.db2.gz BULMXXLILTXTHB-SFHVURJKSA-N 2 2 344.459 1.124 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(OC)c3)CCC2)CC1 ZINC000852693844 596228686 /nfs/dbraw/zinc/22/86/86/596228686.db2.gz MLKBOFNGPFMPNQ-UHFFFAOYSA-N 2 2 341.455 1.441 20 30 EDEDLP C#CCC[N@@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852751786 596237857 /nfs/dbraw/zinc/23/78/57/596237857.db2.gz NCPYMWAYNVJKPF-KRWDZBQOSA-N 2 2 329.444 1.986 20 30 EDEDLP C#CCC[N@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852751786 596237858 /nfs/dbraw/zinc/23/78/58/596237858.db2.gz NCPYMWAYNVJKPF-KRWDZBQOSA-N 2 2 329.444 1.986 20 30 EDEDLP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000877747245 597552983 /nfs/dbraw/zinc/55/29/83/597552983.db2.gz DSUVOQFUEWVDPL-UHFFFAOYSA-N 2 2 328.460 1.779 20 30 EDEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883180818 597679189 /nfs/dbraw/zinc/67/91/89/597679189.db2.gz LVEXDHNOBKOLDS-PKOBYXMFSA-N 2 2 343.471 1.689 20 30 EDEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000884180826 598017344 /nfs/dbraw/zinc/01/73/44/598017344.db2.gz LKFUCOJROQKEMU-PQUAAJSLSA-N 2 2 344.484 1.532 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]21 ZINC000992726288 695242752 /nfs/dbraw/zinc/24/27/52/695242752.db2.gz HJWSRUKCJSNYIN-USXIJHARSA-N 2 2 327.428 1.483 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]21 ZINC000992846215 695404973 /nfs/dbraw/zinc/40/49/73/695404973.db2.gz CXMMFSNPVSHYRQ-RYQLBKOJSA-N 2 2 349.438 1.731 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC000992853580 695409242 /nfs/dbraw/zinc/40/92/42/695409242.db2.gz KJPYLCHXARCKCR-BPQIPLTHSA-N 2 2 349.438 1.731 20 30 EDEDLP C#CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940763604 700885075 /nfs/dbraw/zinc/88/50/75/700885075.db2.gz HHZABYSDWNAPNB-IRXDYDNUSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940763604 700885076 /nfs/dbraw/zinc/88/50/76/700885076.db2.gz HHZABYSDWNAPNB-IRXDYDNUSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940763604 700885077 /nfs/dbraw/zinc/88/50/77/700885077.db2.gz HHZABYSDWNAPNB-IRXDYDNUSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940763604 700885078 /nfs/dbraw/zinc/88/50/78/700885078.db2.gz HHZABYSDWNAPNB-IRXDYDNUSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852578 700952626 /nfs/dbraw/zinc/95/26/26/700952626.db2.gz BMCVSFIFLMOSMD-MRXNPFEDSA-N 2 2 332.448 1.590 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940852578 700952627 /nfs/dbraw/zinc/95/26/27/700952627.db2.gz BMCVSFIFLMOSMD-MRXNPFEDSA-N 2 2 332.448 1.590 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000941410852 701527181 /nfs/dbraw/zinc/52/71/81/701527181.db2.gz PEIPWUBEYCQWQB-UHFFFAOYSA-N 2 2 346.519 1.103 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063225 702519970 /nfs/dbraw/zinc/51/99/70/702519970.db2.gz FCTPXWWTIDIRPX-NVXWUHKLSA-N 2 2 328.460 1.612 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063225 702519975 /nfs/dbraw/zinc/51/99/75/702519975.db2.gz FCTPXWWTIDIRPX-NVXWUHKLSA-N 2 2 328.460 1.612 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996715323 703010171 /nfs/dbraw/zinc/01/01/71/703010171.db2.gz MVVWOVQNWCGQNC-HNNXBMFYSA-N 2 2 343.456 1.843 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408975 703438388 /nfs/dbraw/zinc/43/83/88/703438388.db2.gz QVTAYRIBTXTQMA-OKYOBFRVSA-N 2 2 345.487 1.042 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408975 703438389 /nfs/dbraw/zinc/43/83/89/703438389.db2.gz QVTAYRIBTXTQMA-OKYOBFRVSA-N 2 2 345.487 1.042 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997643409 703952193 /nfs/dbraw/zinc/95/21/93/703952193.db2.gz CIFGTFGDYYMQAD-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050396 705244182 /nfs/dbraw/zinc/24/41/82/705244182.db2.gz HMEAASLAHYKVLS-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050396 705244185 /nfs/dbraw/zinc/24/41/85/705244185.db2.gz HMEAASLAHYKVLS-IAGOWNOFSA-N 2 2 328.460 1.782 20 30 EDEDLP N#Cc1ccccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998114999 705365706 /nfs/dbraw/zinc/36/57/06/705365706.db2.gz LIWXCOYYMDRZQM-UHFFFAOYSA-N 2 2 337.427 1.852 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC000999390186 706903217 /nfs/dbraw/zinc/90/32/17/706903217.db2.gz FAYOJNDHKOUHEC-CABCVRRESA-N 2 2 347.488 1.025 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC000999390186 706903218 /nfs/dbraw/zinc/90/32/18/706903218.db2.gz FAYOJNDHKOUHEC-CABCVRRESA-N 2 2 347.488 1.025 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297037 707409383 /nfs/dbraw/zinc/40/93/83/707409383.db2.gz FNGMSONPTXWJEU-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297037 707409385 /nfs/dbraw/zinc/40/93/85/707409385.db2.gz FNGMSONPTXWJEU-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297037 707409387 /nfs/dbraw/zinc/40/93/87/707409387.db2.gz FNGMSONPTXWJEU-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999837067 707473513 /nfs/dbraw/zinc/47/35/13/707473513.db2.gz PKESBXZFUUVCBK-AWEZNQCLSA-N 2 2 343.456 1.987 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358853 707683658 /nfs/dbraw/zinc/68/36/58/707683658.db2.gz QRJOSJIPMSXLSS-LSDHHAIUSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358853 707683661 /nfs/dbraw/zinc/68/36/61/707683661.db2.gz QRJOSJIPMSXLSS-LSDHHAIUSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358853 707683662 /nfs/dbraw/zinc/68/36/62/707683662.db2.gz QRJOSJIPMSXLSS-LSDHHAIUSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358853 707683665 /nfs/dbraw/zinc/68/36/65/707683665.db2.gz QRJOSJIPMSXLSS-LSDHHAIUSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041417 709290208 /nfs/dbraw/zinc/29/02/08/709290208.db2.gz DBAJJOJNDHEBMO-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041417 709290210 /nfs/dbraw/zinc/29/02/10/709290210.db2.gz DBAJJOJNDHEBMO-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034041417 709290211 /nfs/dbraw/zinc/29/02/11/709290211.db2.gz DBAJJOJNDHEBMO-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034041417 709290213 /nfs/dbraw/zinc/29/02/13/709290213.db2.gz DBAJJOJNDHEBMO-ZIAGYGMSSA-N 2 2 344.297 1.770 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC001032827140 709291138 /nfs/dbraw/zinc/29/11/38/709291138.db2.gz ITBBLSOVKQCBHO-IKJBURDNSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(OCC)C2)C1 ZINC001032827140 709291142 /nfs/dbraw/zinc/29/11/42/709291142.db2.gz ITBBLSOVKQCBHO-IKJBURDNSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(OCC)C2)C1 ZINC001032827140 709291145 /nfs/dbraw/zinc/29/11/45/709291145.db2.gz ITBBLSOVKQCBHO-IKJBURDNSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC(OCC)C2)C1 ZINC001032827140 709291158 /nfs/dbraw/zinc/29/11/58/709291158.db2.gz ITBBLSOVKQCBHO-IKJBURDNSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597075 712038699 /nfs/dbraw/zinc/03/86/99/712038699.db2.gz RBPVDUZFQQTCSC-SFHVURJKSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597075 712038701 /nfs/dbraw/zinc/03/87/01/712038701.db2.gz RBPVDUZFQQTCSC-SFHVURJKSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001033162529 712268838 /nfs/dbraw/zinc/26/88/38/712268838.db2.gz RQEXGCKLZYDOTO-IRXDYDNUSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001033162529 712268840 /nfs/dbraw/zinc/26/88/40/712268840.db2.gz RQEXGCKLZYDOTO-IRXDYDNUSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001033162529 712268844 /nfs/dbraw/zinc/26/88/44/712268844.db2.gz RQEXGCKLZYDOTO-IRXDYDNUSA-N 2 2 344.459 1.422 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2oc(C)nc2C)C1 ZINC001033162529 712268846 /nfs/dbraw/zinc/26/88/46/712268846.db2.gz RQEXGCKLZYDOTO-IRXDYDNUSA-N 2 2 344.459 1.422 20 30 EDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCc1c(C)nn(C)c1C ZINC000262790133 249323806 /nfs/dbraw/zinc/32/38/06/249323806.db2.gz KLUDANHXBPVUEY-UHFFFAOYSA-N 2 2 343.479 1.477 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000369738887 250204310 /nfs/dbraw/zinc/20/43/10/250204310.db2.gz MWJVXYWJPLDMLR-OFLPRAFFSA-N 2 2 347.507 1.784 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000369738887 250204314 /nfs/dbraw/zinc/20/43/14/250204314.db2.gz MWJVXYWJPLDMLR-OFLPRAFFSA-N 2 2 347.507 1.784 20 30 EDEDLP C=CCn1cc(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)nn1 ZINC000424172049 252153134 /nfs/dbraw/zinc/15/31/34/252153134.db2.gz NEJREPRQETVQGD-UHFFFAOYSA-N 2 2 340.475 1.896 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424132215 252135847 /nfs/dbraw/zinc/13/58/47/252135847.db2.gz HIIWXYWUXFFLMN-SJORKVTESA-N 2 2 330.432 1.197 20 30 EDEDLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000424138381 252138316 /nfs/dbraw/zinc/13/83/16/252138316.db2.gz QDDXZVREWXGAOO-HNNXBMFYSA-N 2 2 344.463 1.578 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000490937642 255110812 /nfs/dbraw/zinc/11/08/12/255110812.db2.gz VLNQZLXTCAGNKR-YRNRMSPPSA-N 2 2 341.455 1.307 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000490937638 255110849 /nfs/dbraw/zinc/11/08/49/255110849.db2.gz VLNQZLXTCAGNKR-QINHECLXSA-N 2 2 341.455 1.307 20 30 EDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645176 151098669 /nfs/dbraw/zinc/09/86/69/151098669.db2.gz IIDFBSVKTUDEOC-CQSZACIVSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645176 151098671 /nfs/dbraw/zinc/09/86/71/151098671.db2.gz IIDFBSVKTUDEOC-CQSZACIVSA-N 2 2 330.432 1.274 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429065 157288276 /nfs/dbraw/zinc/28/82/76/157288276.db2.gz NXNGOINGTFHDAJ-FGTMMUONSA-N 2 2 342.443 1.680 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429065 157288280 /nfs/dbraw/zinc/28/82/80/157288280.db2.gz NXNGOINGTFHDAJ-FGTMMUONSA-N 2 2 342.443 1.680 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCOc2ccccc21 ZINC000087167894 441482517 /nfs/dbraw/zinc/48/25/17/441482517.db2.gz OAPBRPGQIMJZAC-HNNXBMFYSA-N 2 2 342.447 1.675 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000175339867 442044750 /nfs/dbraw/zinc/04/47/50/442044750.db2.gz JKNYRCXRQVZJIC-UHFFFAOYSA-N 2 2 333.411 1.845 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000154029113 442317613 /nfs/dbraw/zinc/31/76/13/442317613.db2.gz IGMUBNLQHKKCRP-IRXDYDNUSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000154029113 442317615 /nfs/dbraw/zinc/31/76/15/442317615.db2.gz IGMUBNLQHKKCRP-IRXDYDNUSA-N 2 2 333.476 1.043 20 30 EDEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000192649794 442672493 /nfs/dbraw/zinc/67/24/93/442672493.db2.gz NYTFGVPDBFMMEH-DLBZAZTESA-N 2 2 328.464 1.661 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000181979157 442724869 /nfs/dbraw/zinc/72/48/69/442724869.db2.gz JONKDBFAEVFAKC-CRAIPNDOSA-N 2 2 342.443 1.142 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NCCF ZINC000282831174 443444912 /nfs/dbraw/zinc/44/49/12/443444912.db2.gz SFILYZYAVGIMHH-CQSZACIVSA-N 2 2 332.423 1.586 20 30 EDEDLP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000291440881 443758925 /nfs/dbraw/zinc/75/89/25/443758925.db2.gz KMEXLGYTAFNFDE-UHFFFAOYSA-N 2 2 340.471 1.934 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000294914772 444157685 /nfs/dbraw/zinc/15/76/85/444157685.db2.gz GMLSLQPFQXFRKL-KRWDZBQOSA-N 2 2 335.473 1.256 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000294914772 444157688 /nfs/dbraw/zinc/15/76/88/444157688.db2.gz GMLSLQPFQXFRKL-KRWDZBQOSA-N 2 2 335.473 1.256 20 30 EDEDLP C=CCOc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000295307033 444177133 /nfs/dbraw/zinc/17/71/33/444177133.db2.gz NXVGXRYQXCAFNZ-UHFFFAOYSA-N 2 2 345.487 1.936 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000303972986 444238271 /nfs/dbraw/zinc/23/82/71/444238271.db2.gz GGPNPNHEARHLHW-OAHLLOKOSA-N 3 2 327.436 1.156 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000303972986 444238272 /nfs/dbraw/zinc/23/82/72/444238272.db2.gz GGPNPNHEARHLHW-OAHLLOKOSA-N 3 2 327.436 1.156 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000321947238 444338097 /nfs/dbraw/zinc/33/80/97/444338097.db2.gz NLDIJORPFABDGZ-HOTGVXAUSA-N 2 2 333.457 1.548 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000321947238 444338098 /nfs/dbraw/zinc/33/80/98/444338098.db2.gz NLDIJORPFABDGZ-HOTGVXAUSA-N 2 2 333.457 1.548 20 30 EDEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329628068 444655883 /nfs/dbraw/zinc/65/58/83/444655883.db2.gz UNRYAOGIJYTTQI-OWCLPIDISA-N 2 2 347.463 1.470 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000329605825 444644867 /nfs/dbraw/zinc/64/48/67/444644867.db2.gz ZNGGPMQYUCVHDT-GASCZTMLSA-N 2 2 335.452 1.676 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000329605825 444644873 /nfs/dbraw/zinc/64/48/73/444644873.db2.gz ZNGGPMQYUCVHDT-GASCZTMLSA-N 2 2 335.452 1.676 20 30 EDEDLP CCN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329961870 444788554 /nfs/dbraw/zinc/78/85/54/444788554.db2.gz OVYAYRAIEWHKAG-SQWLQELKSA-N 2 2 346.479 1.628 20 30 EDEDLP CCN1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329961870 444788558 /nfs/dbraw/zinc/78/85/58/444788558.db2.gz OVYAYRAIEWHKAG-SQWLQELKSA-N 2 2 346.479 1.628 20 30 EDEDLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330283376 444921920 /nfs/dbraw/zinc/92/19/20/444921920.db2.gz BHWZKAHEQJQSDQ-NVXWUHKLSA-N 2 2 349.479 1.876 20 30 EDEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489470 445533323 /nfs/dbraw/zinc/53/33/23/445533323.db2.gz AIYUIKDMBIOOGC-OAHLLOKOSA-N 2 2 345.422 1.446 20 30 EDEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000358129624 445606760 /nfs/dbraw/zinc/60/67/60/445606760.db2.gz DMXHIAWRNKGEKF-IBGZPJMESA-N 2 2 339.443 1.620 20 30 EDEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000358129624 445606766 /nfs/dbraw/zinc/60/67/66/445606766.db2.gz DMXHIAWRNKGEKF-IBGZPJMESA-N 2 2 339.443 1.620 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000361505034 445792229 /nfs/dbraw/zinc/79/22/29/445792229.db2.gz UHNLTQJFNXXXIE-GOSISDBHSA-N 2 2 326.444 1.592 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000361505034 445792235 /nfs/dbraw/zinc/79/22/35/445792235.db2.gz UHNLTQJFNXXXIE-GOSISDBHSA-N 2 2 326.444 1.592 20 30 EDEDLP C=CCn1c(C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421264399 447089148 /nfs/dbraw/zinc/08/91/48/447089148.db2.gz DXZBMZYVIIALGP-UHFFFAOYSA-N 2 2 332.496 1.769 20 30 EDEDLP C=CCn1c(C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421264399 447089154 /nfs/dbraw/zinc/08/91/54/447089154.db2.gz DXZBMZYVIIALGP-UHFFFAOYSA-N 2 2 332.496 1.769 20 30 EDEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)CC1 ZINC000569713012 447875601 /nfs/dbraw/zinc/87/56/01/447875601.db2.gz NZHNSGFWRWODFZ-IBGZPJMESA-N 2 2 325.460 1.967 20 30 EDEDLP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)CC1 ZINC000569713012 447875606 /nfs/dbraw/zinc/87/56/06/447875606.db2.gz NZHNSGFWRWODFZ-IBGZPJMESA-N 2 2 325.460 1.967 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000491166313 447946450 /nfs/dbraw/zinc/94/64/50/447946450.db2.gz RBUFGGMAFKCMLI-HNNXBMFYSA-N 2 2 337.489 1.557 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000491166313 447946453 /nfs/dbraw/zinc/94/64/53/447946453.db2.gz RBUFGGMAFKCMLI-HNNXBMFYSA-N 2 2 337.489 1.557 20 30 EDEDLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000552882832 447961919 /nfs/dbraw/zinc/96/19/19/447961919.db2.gz BUKGDCQQMBGBMO-KRWDZBQOSA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000552882832 447961922 /nfs/dbraw/zinc/96/19/22/447961922.db2.gz BUKGDCQQMBGBMO-KRWDZBQOSA-N 2 2 340.471 1.933 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000491242755 447971388 /nfs/dbraw/zinc/97/13/88/447971388.db2.gz SDFHHRPFLHEYLZ-UHFFFAOYSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000491242755 447971393 /nfs/dbraw/zinc/97/13/93/447971393.db2.gz SDFHHRPFLHEYLZ-UHFFFAOYSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491794725 448127312 /nfs/dbraw/zinc/12/73/12/448127312.db2.gz SDNRBDCFNBMJDF-INIZCTEOSA-N 2 2 329.444 1.089 20 30 EDEDLP C#CC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491794725 448127319 /nfs/dbraw/zinc/12/73/19/448127319.db2.gz SDNRBDCFNBMJDF-INIZCTEOSA-N 2 2 329.444 1.089 20 30 EDEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528515449 448564214 /nfs/dbraw/zinc/56/42/14/448564214.db2.gz BYOUPCUZRGPHMC-KRWDZBQOSA-N 2 2 347.459 1.123 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)cc1 ZINC000591890292 448543479 /nfs/dbraw/zinc/54/34/79/448543479.db2.gz BQHUIECBWGBODK-UHFFFAOYSA-N 2 2 348.454 2.131 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000579111147 448717676 /nfs/dbraw/zinc/71/76/76/448717676.db2.gz URULQHNJVCNTQO-NZSAHSFTSA-N 2 2 329.444 1.709 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000579111147 448717680 /nfs/dbraw/zinc/71/76/80/448717680.db2.gz URULQHNJVCNTQO-NZSAHSFTSA-N 2 2 329.444 1.709 20 30 EDEDLP Cc1ccc([C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000568750866 448914449 /nfs/dbraw/zinc/91/44/49/448914449.db2.gz NBVPMFSTRMPTJR-PMACEKPBSA-N 2 2 344.503 1.928 20 30 EDEDLP Cc1ccc([C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000568750866 448914452 /nfs/dbraw/zinc/91/44/52/448914452.db2.gz NBVPMFSTRMPTJR-PMACEKPBSA-N 2 2 344.503 1.928 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1C#N ZINC000596046790 449335058 /nfs/dbraw/zinc/33/50/58/449335058.db2.gz MRILRWWHZDPFBY-RHSMWYFYSA-N 2 2 342.443 1.728 20 30 EDEDLP N#Cc1cc(C[NH+]2CCOCC2)cn(CCC[NH+]2CCCCC2)c1=O ZINC000596284808 449456470 /nfs/dbraw/zinc/45/64/70/449456470.db2.gz FQHZPVMLNMACNZ-UHFFFAOYSA-N 2 2 344.459 1.428 20 30 EDEDLP C[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)N1CC#N ZINC000602851154 449859212 /nfs/dbraw/zinc/85/92/12/449859212.db2.gz TYTHBUBBRTXUOA-QZTJIDSGSA-N 2 2 342.487 1.937 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910332 450375876 /nfs/dbraw/zinc/37/58/76/450375876.db2.gz PHUWDTJHAWFDMT-KFWWJZLASA-N 2 2 330.407 1.612 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910332 450375880 /nfs/dbraw/zinc/37/58/80/450375880.db2.gz PHUWDTJHAWFDMT-KFWWJZLASA-N 2 2 330.407 1.612 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC[NH2+]1 ZINC000638988859 451748501 /nfs/dbraw/zinc/74/85/01/451748501.db2.gz JDPTXNSYYKMLPV-SFHVURJKSA-N 2 2 346.500 1.949 20 30 EDEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000661116028 453719125 /nfs/dbraw/zinc/71/91/25/453719125.db2.gz GZPGTRPYSLTGEJ-DLBZAZTESA-N 2 2 337.508 1.938 20 30 EDEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)COC ZINC000661242357 453772327 /nfs/dbraw/zinc/77/23/27/453772327.db2.gz AMVWPCFMKPXOSZ-KRWDZBQOSA-N 2 2 346.475 1.643 20 30 EDEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)COC ZINC000661242357 453772328 /nfs/dbraw/zinc/77/23/28/453772328.db2.gz AMVWPCFMKPXOSZ-KRWDZBQOSA-N 2 2 346.475 1.643 20 30 EDEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H](C)COC ZINC000661245277 453773049 /nfs/dbraw/zinc/77/30/49/453773049.db2.gz ZOZQHSXGBGBASV-GOSISDBHSA-N 2 2 345.487 1.854 20 30 EDEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H](C)COC ZINC000661245277 453773051 /nfs/dbraw/zinc/77/30/51/453773051.db2.gz ZOZQHSXGBGBASV-GOSISDBHSA-N 2 2 345.487 1.854 20 30 EDEDLP C=CCC1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000668552696 485885184 /nfs/dbraw/zinc/88/51/84/485885184.db2.gz ROYRKUPJUFPQFZ-UHFFFAOYSA-N 2 2 337.508 1.498 20 30 EDEDLP C=CCC1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCOCC1 ZINC000668552696 485885188 /nfs/dbraw/zinc/88/51/88/485885188.db2.gz ROYRKUPJUFPQFZ-UHFFFAOYSA-N 2 2 337.508 1.498 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)CC1 ZINC000188400606 523766789 /nfs/dbraw/zinc/76/67/89/523766789.db2.gz GXBZTWAAVNQUKU-UHFFFAOYSA-N 2 2 342.443 1.552 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000155286078 526579802 /nfs/dbraw/zinc/57/98/02/526579802.db2.gz QWPNDZFUKRSBDQ-UHFFFAOYSA-N 2 2 330.432 1.794 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000104173572 529073208 /nfs/dbraw/zinc/07/32/08/529073208.db2.gz UBSLUSVYDSFKEK-GDBMZVCRSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000104173572 529073212 /nfs/dbraw/zinc/07/32/12/529073212.db2.gz UBSLUSVYDSFKEK-GDBMZVCRSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000104173572 529073214 /nfs/dbraw/zinc/07/32/14/529073214.db2.gz UBSLUSVYDSFKEK-GDBMZVCRSA-N 3 2 349.548 1.883 20 30 EDEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000104173572 529073219 /nfs/dbraw/zinc/07/32/19/529073219.db2.gz UBSLUSVYDSFKEK-GDBMZVCRSA-N 3 2 349.548 1.883 20 30 EDEDLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352838308 535890050 /nfs/dbraw/zinc/89/00/50/535890050.db2.gz MCTPXQBOJWIQNH-UHFFFAOYSA-N 2 2 343.456 1.596 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000732058488 578689352 /nfs/dbraw/zinc/68/93/52/578689352.db2.gz ZOXHCBQXMGFBGZ-KRWDZBQOSA-N 2 2 342.443 1.014 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(CC)cc2)C2CC2)CC1 ZINC000746502825 579598747 /nfs/dbraw/zinc/59/87/47/579598747.db2.gz NATFVIZLPVFQLW-UHFFFAOYSA-N 2 2 339.483 1.991 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(CC)cc2)C2CC2)CC1 ZINC000746502825 579598748 /nfs/dbraw/zinc/59/87/48/579598748.db2.gz NATFVIZLPVFQLW-UHFFFAOYSA-N 2 2 339.483 1.991 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(c3ccc(C)cc3)CC2)CC1 ZINC000748810644 579700833 /nfs/dbraw/zinc/70/08/33/579700833.db2.gz XNGBMKSYDCQMLW-UHFFFAOYSA-N 2 2 337.467 1.862 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)CC1 ZINC000748810644 579700834 /nfs/dbraw/zinc/70/08/34/579700834.db2.gz XNGBMKSYDCQMLW-UHFFFAOYSA-N 2 2 337.467 1.862 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758234431 579977887 /nfs/dbraw/zinc/97/78/87/579977887.db2.gz ZQLXMFMDHHBJGV-MRXNPFEDSA-N 2 2 332.448 1.419 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758234431 579977888 /nfs/dbraw/zinc/97/78/88/579977888.db2.gz ZQLXMFMDHHBJGV-MRXNPFEDSA-N 2 2 332.448 1.419 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000765816181 580151907 /nfs/dbraw/zinc/15/19/07/580151907.db2.gz XKSQLKYMZVOENP-WDSOQIARSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000765816181 580151908 /nfs/dbraw/zinc/15/19/08/580151908.db2.gz XKSQLKYMZVOENP-WDSOQIARSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000765816181 580151909 /nfs/dbraw/zinc/15/19/09/580151909.db2.gz XKSQLKYMZVOENP-WDSOQIARSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000765816181 580151910 /nfs/dbraw/zinc/15/19/10/580151910.db2.gz XKSQLKYMZVOENP-WDSOQIARSA-N 2 2 325.456 1.721 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3=[NH+][C@H]4CCCC[C@@H]4N3)cc2)CC1 ZINC000771557717 580288935 /nfs/dbraw/zinc/28/89/35/580288935.db2.gz LOMVBJCVCHMDFO-ROUUACIJSA-N 3 2 340.475 1.632 20 30 EDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000775789284 580400451 /nfs/dbraw/zinc/40/04/51/580400451.db2.gz CHFSZVAJOGSPTL-DLBZAZTESA-N 2 2 347.484 1.163 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000780398338 580521457 /nfs/dbraw/zinc/52/14/57/580521457.db2.gz OGWMYCVSPRJDAE-CFGKVWFZSA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000780398338 580521458 /nfs/dbraw/zinc/52/14/58/580521458.db2.gz OGWMYCVSPRJDAE-CFGKVWFZSA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000780398346 580521465 /nfs/dbraw/zinc/52/14/65/580521465.db2.gz OGWMYCVSPRJDAE-PISNEZEASA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000780398346 580521466 /nfs/dbraw/zinc/52/14/66/580521466.db2.gz OGWMYCVSPRJDAE-PISNEZEASA-N 2 2 337.467 1.942 20 30 EDEDLP C#CCN(C(=O)NCc1c(C)[nH+]c2ccccn21)C1CC[NH+](C)CC1 ZINC000898956397 591615086 /nfs/dbraw/zinc/61/50/86/591615086.db2.gz GIMIAUVISRBXQV-UHFFFAOYSA-N 2 2 339.443 1.882 20 30 EDEDLP NC(=[NH+]OC[C@@H]1C[C@@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227087 591949899 /nfs/dbraw/zinc/94/98/99/591949899.db2.gz VJRZQFBKQKSMQG-PKOBYXMFSA-N 2 2 345.443 1.582 20 30 EDEDLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc(C)c1C#N ZINC000906906602 592397931 /nfs/dbraw/zinc/39/79/31/592397931.db2.gz IPAMWUKHZCUELZ-UHFFFAOYSA-N 2 2 328.460 1.931 20 30 EDEDLP N#C[C@@H]1C[NH2+]CC12CC(c1nc(Cc3cn4ccccc4[nH+]3)no1)C2 ZINC000904085133 592423277 /nfs/dbraw/zinc/42/32/77/592423277.db2.gz XSXXYWFHWDSNEM-YNAXMUEKSA-N 2 2 334.383 1.915 20 30 EDEDLP N#C[C@H]1C[NH2+]CC12CC(c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000904114143 592435418 /nfs/dbraw/zinc/43/54/18/592435418.db2.gz LHNNJVRAYZWMAO-WPMQWBBHSA-N 2 2 343.431 1.602 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838094419 593123605 /nfs/dbraw/zinc/12/36/05/593123605.db2.gz QCYFFMNGMNFGKN-UHFFFAOYSA-N 2 2 326.404 1.022 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838094419 593123608 /nfs/dbraw/zinc/12/36/08/593123608.db2.gz QCYFFMNGMNFGKN-UHFFFAOYSA-N 2 2 326.404 1.022 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009164 596006172 /nfs/dbraw/zinc/00/61/72/596006172.db2.gz KGXIQBVTFODNGW-OALUTQOASA-N 2 2 329.444 1.778 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009164 596006174 /nfs/dbraw/zinc/00/61/74/596006174.db2.gz KGXIQBVTFODNGW-OALUTQOASA-N 2 2 329.444 1.778 20 30 EDEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C#Cc3cccs3)c2)CC1 ZINC000870665527 596314242 /nfs/dbraw/zinc/31/42/42/596314242.db2.gz XQZYLILZOFNWNT-UHFFFAOYSA-N 2 2 326.425 1.885 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1O ZINC000866267972 596842967 /nfs/dbraw/zinc/84/29/67/596842967.db2.gz JVTQKBUMDJYBTE-WBVHZDCISA-N 2 2 344.459 1.321 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000876727500 597308086 /nfs/dbraw/zinc/30/80/86/597308086.db2.gz MGPXKKNUIZOEDZ-LJQANCHMSA-N 2 2 349.438 1.637 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000884102442 597995770 /nfs/dbraw/zinc/99/57/70/597995770.db2.gz CRULHIZSJFCGNQ-SFHVURJKSA-N 2 2 326.444 1.399 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000884102442 597995772 /nfs/dbraw/zinc/99/57/72/597995772.db2.gz CRULHIZSJFCGNQ-SFHVURJKSA-N 2 2 326.444 1.399 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174452 697866868 /nfs/dbraw/zinc/86/68/68/697866868.db2.gz DCIHVSWEFDBFMF-RDTXWAMCSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174452 697866872 /nfs/dbraw/zinc/86/68/72/697866872.db2.gz DCIHVSWEFDBFMF-RDTXWAMCSA-N 2 2 337.427 1.851 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2C)C1 ZINC001031740638 698311428 /nfs/dbraw/zinc/31/14/28/698311428.db2.gz HLJAQKHPYVYHQZ-IBGZPJMESA-N 2 2 343.446 1.780 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2C)C1 ZINC001031740638 698311430 /nfs/dbraw/zinc/31/14/30/698311430.db2.gz HLJAQKHPYVYHQZ-IBGZPJMESA-N 2 2 343.446 1.780 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cc1 ZINC001031776562 699147091 /nfs/dbraw/zinc/14/70/91/699147091.db2.gz WVHUAHXMMUARDF-GOSISDBHSA-N 2 2 349.438 1.565 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031978178 701994568 /nfs/dbraw/zinc/99/45/68/701994568.db2.gz PXZDQZBRUMABHS-KSSFIOAISA-N 2 2 326.444 1.304 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031978178 701994574 /nfs/dbraw/zinc/99/45/74/701994574.db2.gz PXZDQZBRUMABHS-KSSFIOAISA-N 2 2 326.444 1.304 20 30 EDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032182946 702152537 /nfs/dbraw/zinc/15/25/37/702152537.db2.gz WLDBLFHSWSUVPN-QGZVFWFLSA-N 2 2 345.874 1.691 20 30 EDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001032182946 702152546 /nfs/dbraw/zinc/15/25/46/702152546.db2.gz WLDBLFHSWSUVPN-QGZVFWFLSA-N 2 2 345.874 1.691 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995253736 702989939 /nfs/dbraw/zinc/98/99/39/702989939.db2.gz TYCVGFQACSTQEU-YJBOKZPZSA-N 2 2 337.427 1.829 20 30 EDEDLP N#Cc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000998114440 705364798 /nfs/dbraw/zinc/36/47/98/705364798.db2.gz HJLFDTIGZPFRBW-UHFFFAOYSA-N 2 2 337.427 1.852 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC000999390166 706903373 /nfs/dbraw/zinc/90/33/73/706903373.db2.gz DRHNKXBNKTUDEO-WBVHZDCISA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC000999390166 706903376 /nfs/dbraw/zinc/90/33/76/706903376.db2.gz DRHNKXBNKTUDEO-WBVHZDCISA-N 2 2 330.432 1.161 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365512 707660152 /nfs/dbraw/zinc/66/01/52/707660152.db2.gz OHADLIUJGNOYQU-ZWKOTPCHSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365512 707660155 /nfs/dbraw/zinc/66/01/55/707660155.db2.gz OHADLIUJGNOYQU-ZWKOTPCHSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365512 707660157 /nfs/dbraw/zinc/66/01/57/707660157.db2.gz OHADLIUJGNOYQU-ZWKOTPCHSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365512 707660160 /nfs/dbraw/zinc/66/01/60/707660160.db2.gz OHADLIUJGNOYQU-ZWKOTPCHSA-N 2 2 335.492 1.739 20 30 EDEDLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC#Cc2ccccc2)C1 ZINC001032730419 707738714 /nfs/dbraw/zinc/73/87/14/707738714.db2.gz DYBANDSUGYBPAM-AABGKKOBSA-N 2 2 337.467 1.665 20 30 EDEDLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC#Cc2ccccc2)C1 ZINC001032730419 707738717 /nfs/dbraw/zinc/73/87/17/707738717.db2.gz DYBANDSUGYBPAM-AABGKKOBSA-N 2 2 337.467 1.665 20 30 EDEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)C1 ZINC001032730419 707738720 /nfs/dbraw/zinc/73/87/20/707738720.db2.gz DYBANDSUGYBPAM-AABGKKOBSA-N 2 2 337.467 1.665 20 30 EDEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)C1 ZINC001032730419 707738723 /nfs/dbraw/zinc/73/87/23/707738723.db2.gz DYBANDSUGYBPAM-AABGKKOBSA-N 2 2 337.467 1.665 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580018 708259780 /nfs/dbraw/zinc/25/97/80/708259780.db2.gz COMKEXKFQZATNW-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580018 708259784 /nfs/dbraw/zinc/25/97/84/708259784.db2.gz COMKEXKFQZATNW-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580018 708259788 /nfs/dbraw/zinc/25/97/88/708259788.db2.gz COMKEXKFQZATNW-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580018 708259792 /nfs/dbraw/zinc/25/97/92/708259792.db2.gz COMKEXKFQZATNW-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218897 709575300 /nfs/dbraw/zinc/57/53/00/709575300.db2.gz KIRIGQOAAQPSGQ-MRXNPFEDSA-N 2 2 328.460 1.756 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218897 709575305 /nfs/dbraw/zinc/57/53/05/709575305.db2.gz KIRIGQOAAQPSGQ-MRXNPFEDSA-N 2 2 328.460 1.756 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004620358 712082192 /nfs/dbraw/zinc/08/21/92/712082192.db2.gz PCODZZSENJMXKY-LJQANCHMSA-N 2 2 342.487 1.558 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004620358 712082194 /nfs/dbraw/zinc/08/21/94/712082194.db2.gz PCODZZSENJMXKY-LJQANCHMSA-N 2 2 342.487 1.558 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173377855 529903672 /nfs/dbraw/zinc/90/36/72/529903672.db2.gz ANSNHFDPAFQVFR-UHFFFAOYSA-N 2 2 347.467 1.286 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173377855 529903673 /nfs/dbraw/zinc/90/36/73/529903673.db2.gz ANSNHFDPAFQVFR-UHFFFAOYSA-N 2 2 347.467 1.286 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329661830 539454468 /nfs/dbraw/zinc/45/44/68/539454468.db2.gz IVOITNNKTBRXSD-CVEARBPZSA-N 2 2 348.495 1.242 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329661830 539454474 /nfs/dbraw/zinc/45/44/74/539454474.db2.gz IVOITNNKTBRXSD-CVEARBPZSA-N 2 2 348.495 1.242 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329661830 539454478 /nfs/dbraw/zinc/45/44/78/539454478.db2.gz IVOITNNKTBRXSD-CVEARBPZSA-N 2 2 348.495 1.242 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329661830 539454483 /nfs/dbraw/zinc/45/44/83/539454483.db2.gz IVOITNNKTBRXSD-CVEARBPZSA-N 2 2 348.495 1.242 20 30 EDEDLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCn2cc[nH+]c2C1 ZINC000329848264 539468791 /nfs/dbraw/zinc/46/87/91/539468791.db2.gz POGPCSSUTVUCNS-UHFFFAOYSA-N 2 2 349.504 1.974 20 30 EDEDLP COCC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181759919 234311957 /nfs/dbraw/zinc/31/19/57/234311957.db2.gz BODXJTFPRLQEOZ-IBGZPJMESA-N 2 2 331.460 1.900 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346883521 250048695 /nfs/dbraw/zinc/04/86/95/250048695.db2.gz LZQSXKJUTZRMOG-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346883521 250048699 /nfs/dbraw/zinc/04/86/99/250048699.db2.gz LZQSXKJUTZRMOG-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346883521 250048703 /nfs/dbraw/zinc/04/87/03/250048703.db2.gz LZQSXKJUTZRMOG-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346883521 250048707 /nfs/dbraw/zinc/04/87/07/250048707.db2.gz LZQSXKJUTZRMOG-BPQIPLTHSA-N 2 2 345.491 1.522 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424144998 252144276 /nfs/dbraw/zinc/14/42/76/252144276.db2.gz YDIOHANJTPTMBE-IAGOWNOFSA-N 2 2 330.432 1.025 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424144998 252144280 /nfs/dbraw/zinc/14/42/80/252144280.db2.gz YDIOHANJTPTMBE-IAGOWNOFSA-N 2 2 330.432 1.025 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424183140 252156740 /nfs/dbraw/zinc/15/67/40/252156740.db2.gz IKMDNLJICAOYFD-KBPBESRZSA-N 2 2 331.420 1.148 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424131785 252134311 /nfs/dbraw/zinc/13/43/11/252134311.db2.gz JTHKWUZMGDJRCS-IRXDYDNUSA-N 2 2 330.432 1.197 20 30 EDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000424296282 252192603 /nfs/dbraw/zinc/19/26/03/252192603.db2.gz OBYVZCJBQXGFGH-QAPCUYQASA-N 2 2 326.448 1.859 20 30 EDEDLP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000424296282 252192606 /nfs/dbraw/zinc/19/26/06/252192606.db2.gz OBYVZCJBQXGFGH-QAPCUYQASA-N 2 2 326.448 1.859 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000490759321 255105459 /nfs/dbraw/zinc/10/54/59/255105459.db2.gz CHSNPCWVCJFNJG-LJQANCHMSA-N 2 2 325.456 1.253 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000491642854 255137142 /nfs/dbraw/zinc/13/71/42/255137142.db2.gz CHCFHDMPKHPHRI-QGZVFWFLSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000491642854 255137143 /nfs/dbraw/zinc/13/71/43/255137143.db2.gz CHCFHDMPKHPHRI-QGZVFWFLSA-N 2 2 329.419 1.392 20 30 EDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000264298477 139394888 /nfs/dbraw/zinc/39/48/88/139394888.db2.gz SCCNXQJYQLWWLS-HXUWFJFHSA-N 2 2 342.487 1.785 20 30 EDEDLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC000264298477 139394889 /nfs/dbraw/zinc/39/48/89/139394889.db2.gz SCCNXQJYQLWWLS-HXUWFJFHSA-N 2 2 342.487 1.785 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)[N@H+](C)C1 ZINC000329150076 286079844 /nfs/dbraw/zinc/07/98/44/286079844.db2.gz ZGQSRLUMADGZIX-SOUVJXGZSA-N 2 2 336.436 1.563 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)[N@@H+](C)C1 ZINC000329150076 286079845 /nfs/dbraw/zinc/07/98/45/286079845.db2.gz ZGQSRLUMADGZIX-SOUVJXGZSA-N 2 2 336.436 1.563 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374201003 157191265 /nfs/dbraw/zinc/19/12/65/157191265.db2.gz SIYVOBJVMIQOBR-INIZCTEOSA-N 2 2 326.400 1.901 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408077694 158259052 /nfs/dbraw/zinc/25/90/52/158259052.db2.gz AYKWKMRAJMEKSQ-MRXNPFEDSA-N 2 2 340.471 1.728 20 30 EDEDLP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000517010786 267148776 /nfs/dbraw/zinc/14/87/76/267148776.db2.gz JQZUAFWEXBOCOM-RTBURBONSA-N 2 2 329.444 1.916 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@@H](SC)C1 ZINC000088250256 441501270 /nfs/dbraw/zinc/50/12/70/441501270.db2.gz XYKKZECPVRNOQJ-GXTWGEPZSA-N 2 2 338.525 1.825 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115545904 441753606 /nfs/dbraw/zinc/75/36/06/441753606.db2.gz KBHAZCPRBMASKV-MRXNPFEDSA-N 2 2 325.497 1.578 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115545904 441753612 /nfs/dbraw/zinc/75/36/12/441753612.db2.gz KBHAZCPRBMASKV-MRXNPFEDSA-N 2 2 325.497 1.578 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119704729 441947557 /nfs/dbraw/zinc/94/75/57/441947557.db2.gz HVTJVJASMQQGMH-DFNIBXOVSA-N 2 2 348.535 1.654 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119704729 441947564 /nfs/dbraw/zinc/94/75/64/441947564.db2.gz HVTJVJASMQQGMH-DFNIBXOVSA-N 2 2 348.535 1.654 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119704729 441947568 /nfs/dbraw/zinc/94/75/68/441947568.db2.gz HVTJVJASMQQGMH-DFNIBXOVSA-N 2 2 348.535 1.654 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119704729 441947572 /nfs/dbraw/zinc/94/75/72/441947572.db2.gz HVTJVJASMQQGMH-DFNIBXOVSA-N 2 2 348.535 1.654 20 30 EDEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129136434 442302621 /nfs/dbraw/zinc/30/26/21/442302621.db2.gz ZDTKZSMURIMKHY-QGZVFWFLSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129136434 442302624 /nfs/dbraw/zinc/30/26/24/442302624.db2.gz ZDTKZSMURIMKHY-QGZVFWFLSA-N 2 2 342.443 1.541 20 30 EDEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)N1CCN(C(C)=O)CC1 ZINC000263113410 443224921 /nfs/dbraw/zinc/22/49/21/443224921.db2.gz FGQLQLMXUAASQA-AWEZNQCLSA-N 2 2 337.493 1.090 20 30 EDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCOC1 ZINC000262832350 443214960 /nfs/dbraw/zinc/21/49/60/443214960.db2.gz RUJSDEDPNUJUHQ-CQSZACIVSA-N 2 2 331.395 1.713 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000264732138 443396204 /nfs/dbraw/zinc/39/62/04/443396204.db2.gz RHCXFLUIWSPRNJ-MOPGFXCFSA-N 2 2 348.535 1.677 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000264732138 443396209 /nfs/dbraw/zinc/39/62/09/443396209.db2.gz RHCXFLUIWSPRNJ-MOPGFXCFSA-N 2 2 348.535 1.677 20 30 EDEDLP NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000282182987 444107850 /nfs/dbraw/zinc/10/78/50/444107850.db2.gz GINXOSAIZWJELE-HNNXBMFYSA-N 2 2 332.404 1.418 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000321815453 444337575 /nfs/dbraw/zinc/33/75/75/444337575.db2.gz CEARMNQQXLTJTL-HNNXBMFYSA-N 2 2 333.457 1.406 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000321815453 444337577 /nfs/dbraw/zinc/33/75/77/444337577.db2.gz CEARMNQQXLTJTL-HNNXBMFYSA-N 2 2 333.457 1.406 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000328668113 444421525 /nfs/dbraw/zinc/42/15/25/444421525.db2.gz DLXHEUTWRNGIOO-HZPDHXFCSA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC000328668113 444421528 /nfs/dbraw/zinc/42/15/28/444421528.db2.gz DLXHEUTWRNGIOO-HZPDHXFCSA-N 2 2 331.464 1.596 20 30 EDEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]21 ZINC000328872139 444383636 /nfs/dbraw/zinc/38/36/36/444383636.db2.gz IPLSGHLXAQVVQN-HUUCEWRRSA-N 2 2 338.496 1.615 20 30 EDEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]21 ZINC000328872139 444383641 /nfs/dbraw/zinc/38/36/41/444383641.db2.gz IPLSGHLXAQVVQN-HUUCEWRRSA-N 2 2 338.496 1.615 20 30 EDEDLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000580064519 322003737 /nfs/dbraw/zinc/00/37/37/322003737.db2.gz IJQOFLIHBUYETB-AWEZNQCLSA-N 2 2 337.489 1.898 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000332307051 444509227 /nfs/dbraw/zinc/50/92/27/444509227.db2.gz RNQKRVAPWJLEQI-QGZVFWFLSA-N 2 2 326.444 1.755 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000332307051 444509230 /nfs/dbraw/zinc/50/92/30/444509230.db2.gz RNQKRVAPWJLEQI-QGZVFWFLSA-N 2 2 326.444 1.755 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000332601671 444521021 /nfs/dbraw/zinc/52/10/21/444521021.db2.gz HLWXTOXZSCYYAO-UHFFFAOYSA-N 2 2 335.496 1.642 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199921 444982791 /nfs/dbraw/zinc/98/27/91/444982791.db2.gz DXDHVMPAKKTNIU-PMPSAXMXSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199921 444982795 /nfs/dbraw/zinc/98/27/95/444982795.db2.gz DXDHVMPAKKTNIU-PMPSAXMXSA-N 2 2 349.454 1.051 20 30 EDEDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC000361923085 446071443 /nfs/dbraw/zinc/07/14/43/446071443.db2.gz BHICFSKPIDDKSC-APWZRJJASA-N 2 2 328.460 1.395 20 30 EDEDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC000361923085 446071449 /nfs/dbraw/zinc/07/14/49/446071449.db2.gz BHICFSKPIDDKSC-APWZRJJASA-N 2 2 328.460 1.395 20 30 EDEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000361923085 446071451 /nfs/dbraw/zinc/07/14/51/446071451.db2.gz BHICFSKPIDDKSC-APWZRJJASA-N 2 2 328.460 1.395 20 30 EDEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000361923085 446071456 /nfs/dbraw/zinc/07/14/56/446071456.db2.gz BHICFSKPIDDKSC-APWZRJJASA-N 2 2 328.460 1.395 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000362183047 446250747 /nfs/dbraw/zinc/25/07/47/446250747.db2.gz ZHFPPRPDGNUFMG-QZTJIDSGSA-N 2 2 337.508 1.985 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000362183047 446250751 /nfs/dbraw/zinc/25/07/51/446250751.db2.gz ZHFPPRPDGNUFMG-QZTJIDSGSA-N 2 2 337.508 1.985 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](CC)C2)c(OC)c1 ZINC000517556387 448592158 /nfs/dbraw/zinc/59/21/58/448592158.db2.gz LXLYSQAIJPGRCJ-DLBZAZTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](CC)C2)c(OC)c1 ZINC000517556387 448592159 /nfs/dbraw/zinc/59/21/59/448592159.db2.gz LXLYSQAIJPGRCJ-DLBZAZTESA-N 2 2 334.460 1.847 20 30 EDEDLP N#C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000578993636 448689002 /nfs/dbraw/zinc/68/90/02/448689002.db2.gz XKESDOGXPGGSAU-JZXOWHBKSA-N 2 2 337.427 1.610 20 30 EDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530243233 449092785 /nfs/dbraw/zinc/09/27/85/449092785.db2.gz GCEVWLJUXYUHDF-UHFFFAOYSA-N 2 2 344.459 1.394 20 30 EDEDLP C[C@H](CC(=O)N(C)C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593703405 449153116 /nfs/dbraw/zinc/15/31/16/449153116.db2.gz UCBDJRYUFLVKJT-OAHLLOKOSA-N 2 2 328.460 1.979 20 30 EDEDLP Cc1onc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1C#N ZINC000601808210 449164333 /nfs/dbraw/zinc/16/43/33/449164333.db2.gz VSYCWYMQJIRGEA-UHFFFAOYSA-N 2 2 340.387 1.183 20 30 EDEDLP Cc1cc(N(C)CC2C[NH+](C)C2)c(C#N)c(N(C)CC2C[NH+](C)C2)[nH+]1 ZINC000596454920 449510793 /nfs/dbraw/zinc/51/07/93/449510793.db2.gz YBJOKHQTFOQHGQ-UHFFFAOYSA-N 3 2 342.491 1.257 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598730375 449567779 /nfs/dbraw/zinc/56/77/79/449567779.db2.gz UMSVGLGVDKLRSU-RBUKOAKNSA-N 2 2 344.503 1.693 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598730375 449567783 /nfs/dbraw/zinc/56/77/83/449567783.db2.gz UMSVGLGVDKLRSU-RBUKOAKNSA-N 2 2 344.503 1.693 20 30 EDEDLP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1C#N ZINC000599339047 449905278 /nfs/dbraw/zinc/90/52/78/449905278.db2.gz FBVGBIOEFSYHPL-SFHVURJKSA-N 2 2 326.444 1.781 20 30 EDEDLP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1C#N ZINC000599339047 449905282 /nfs/dbraw/zinc/90/52/82/449905282.db2.gz FBVGBIOEFSYHPL-SFHVURJKSA-N 2 2 326.444 1.781 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664806193 453417558 /nfs/dbraw/zinc/41/75/58/453417558.db2.gz KMIZRPCMNGQTSP-CVEARBPZSA-N 2 2 326.485 1.150 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664806193 453417567 /nfs/dbraw/zinc/41/75/67/453417567.db2.gz KMIZRPCMNGQTSP-CVEARBPZSA-N 2 2 326.485 1.150 20 30 EDEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478472 487096224 /nfs/dbraw/zinc/09/62/24/487096224.db2.gz ZIDPATJJJLPCJJ-RTBURBONSA-N 2 2 344.503 1.853 20 30 EDEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478472 487096227 /nfs/dbraw/zinc/09/62/27/487096227.db2.gz ZIDPATJJJLPCJJ-RTBURBONSA-N 2 2 344.503 1.853 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231258 528622035 /nfs/dbraw/zinc/62/20/35/528622035.db2.gz YCXPJPJFYRXYLX-ZWKOTPCHSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231258 528622038 /nfs/dbraw/zinc/62/20/38/528622038.db2.gz YCXPJPJFYRXYLX-ZWKOTPCHSA-N 2 2 349.523 1.096 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000730095888 578613807 /nfs/dbraw/zinc/61/38/07/578613807.db2.gz KXYCLPCEQNVVDH-IBGZPJMESA-N 2 2 325.456 1.737 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000730095888 578613809 /nfs/dbraw/zinc/61/38/09/578613809.db2.gz KXYCLPCEQNVVDH-IBGZPJMESA-N 2 2 325.456 1.737 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000748824087 579702471 /nfs/dbraw/zinc/70/24/71/579702471.db2.gz GGRHLQPFJGCHIB-QUCCMNQESA-N 2 2 339.483 1.717 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000748824087 579702473 /nfs/dbraw/zinc/70/24/73/579702473.db2.gz GGRHLQPFJGCHIB-QUCCMNQESA-N 2 2 339.483 1.717 20 30 EDEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCC#N ZINC000750835251 579783263 /nfs/dbraw/zinc/78/32/63/579783263.db2.gz LCSXTNSWTSXVHJ-UHFFFAOYSA-N 3 2 349.523 1.144 20 30 EDEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCC#N ZINC000750835251 579783265 /nfs/dbraw/zinc/78/32/65/579783265.db2.gz LCSXTNSWTSXVHJ-UHFFFAOYSA-N 3 2 349.523 1.144 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CCc2cccs2)CC1 ZINC000766941113 580177695 /nfs/dbraw/zinc/17/76/95/580177695.db2.gz YDUZLJUFDRFNJR-UHFFFAOYSA-N 2 2 333.501 1.780 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)CCc2cccs2)CC1 ZINC000766941113 580177696 /nfs/dbraw/zinc/17/76/96/580177696.db2.gz YDUZLJUFDRFNJR-UHFFFAOYSA-N 2 2 333.501 1.780 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000891948500 590702130 /nfs/dbraw/zinc/70/21/30/590702130.db2.gz AOLZXVCZTHUAJL-UHFFFAOYSA-N 2 2 346.500 1.996 20 30 EDEDLP CN1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000903215438 592140776 /nfs/dbraw/zinc/14/07/76/592140776.db2.gz IYCONTIPQSBYNG-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903448922 592172908 /nfs/dbraw/zinc/17/29/08/592172908.db2.gz NJQTVECSXSKPGR-QGZVFWFLSA-N 2 2 326.444 1.571 20 30 EDEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903448922 592172910 /nfs/dbraw/zinc/17/29/10/592172910.db2.gz NJQTVECSXSKPGR-QGZVFWFLSA-N 2 2 326.444 1.571 20 30 EDEDLP CN(C(=O)c1ccsc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906655176 592237701 /nfs/dbraw/zinc/23/77/01/592237701.db2.gz MSHYASUKBVQTBC-CQSZACIVSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1ccsc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906655176 592237704 /nfs/dbraw/zinc/23/77/04/592237704.db2.gz MSHYASUKBVQTBC-CQSZACIVSA-N 2 2 332.473 1.860 20 30 EDEDLP C=CCc1cc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc(OC)c1O ZINC000904495474 592267505 /nfs/dbraw/zinc/26/75/05/592267505.db2.gz MYCMUQJAMPHXQU-HZPDHXFCSA-N 2 2 342.443 1.790 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000908068364 592303562 /nfs/dbraw/zinc/30/35/62/592303562.db2.gz XUCZIRWLJYXYTM-UHFFFAOYSA-N 2 2 330.436 1.153 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901730367 592446158 /nfs/dbraw/zinc/44/61/58/592446158.db2.gz WBMPBESLIZIJKV-NXEZZACHSA-N 2 2 327.226 1.241 20 30 EDEDLP C[C@@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC000819816913 593770774 /nfs/dbraw/zinc/77/07/74/593770774.db2.gz RXGIBPHJXKLGRP-CQSZACIVSA-N 2 2 325.420 1.308 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C#Cc3cccs3)CC2)CC1 ZINC000825523349 594197015 /nfs/dbraw/zinc/19/70/15/594197015.db2.gz RTHTUZFYJZSCDY-UHFFFAOYSA-N 2 2 331.485 1.774 20 30 EDEDLP C#C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000847326648 595396589 /nfs/dbraw/zinc/39/65/89/595396589.db2.gz DKCHACUHYNKLNS-GOSISDBHSA-N 2 2 346.519 1.992 20 30 EDEDLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C#CC1CC[NH2+]CC1 ZINC000852865800 595585883 /nfs/dbraw/zinc/58/58/83/595585883.db2.gz PNJBALLCVAGNJT-UHFFFAOYSA-N 2 2 328.338 1.407 20 30 EDEDLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1 ZINC000867997088 596646990 /nfs/dbraw/zinc/64/69/90/596646990.db2.gz ARKDUCWBEQBTOY-QZTJIDSGSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C2)c1 ZINC000867997088 596646993 /nfs/dbraw/zinc/64/69/93/596646993.db2.gz ARKDUCWBEQBTOY-QZTJIDSGSA-N 2 2 344.459 1.333 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccccc3C)C2)CC1 ZINC001031434702 697101479 /nfs/dbraw/zinc/10/14/79/697101479.db2.gz ATGUSQGJFSUWNV-UHFFFAOYSA-N 2 2 325.456 1.641 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031579693 697275287 /nfs/dbraw/zinc/27/52/87/697275287.db2.gz KDMUHMHNLCXIJN-GOSISDBHSA-N 2 2 345.874 1.834 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031579693 697275289 /nfs/dbraw/zinc/27/52/89/697275289.db2.gz KDMUHMHNLCXIJN-GOSISDBHSA-N 2 2 345.874 1.834 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001031729164 698082206 /nfs/dbraw/zinc/08/22/06/698082206.db2.gz BGZZSKIBJVXABA-SFHVURJKSA-N 2 2 349.438 1.880 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)c2)C1 ZINC001031741465 698316216 /nfs/dbraw/zinc/31/62/16/698316216.db2.gz ZWIKPUYEPLMXRF-IBGZPJMESA-N 2 2 341.455 1.341 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)c2)C1 ZINC001031741465 698316217 /nfs/dbraw/zinc/31/62/17/698316217.db2.gz ZWIKPUYEPLMXRF-IBGZPJMESA-N 2 2 341.455 1.341 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939216658 699388932 /nfs/dbraw/zinc/38/89/32/699388932.db2.gz XBTHLUOQCIQTFW-YVEFUNNKSA-N 2 2 341.390 1.600 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407657 699562181 /nfs/dbraw/zinc/56/21/81/699562181.db2.gz HTYGMYHLPNTARA-GXSJLCMTSA-N 2 2 327.226 1.297 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621775 699758014 /nfs/dbraw/zinc/75/80/14/699758014.db2.gz DTAQMZOFRHMGEW-RNCFNFMXSA-N 2 2 341.253 1.606 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000939622518 699759446 /nfs/dbraw/zinc/75/94/46/699759446.db2.gz LXUITCMROCULNF-ACJLOTCBSA-N 2 2 337.427 1.769 20 30 EDEDLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)CCC1 ZINC001032443314 703619681 /nfs/dbraw/zinc/61/96/81/703619681.db2.gz RYYHXUCEGNQBGB-ROUUACIJSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)CCC1 ZINC001032443314 703619682 /nfs/dbraw/zinc/61/96/82/703619682.db2.gz RYYHXUCEGNQBGB-ROUUACIJSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094408 704176660 /nfs/dbraw/zinc/17/66/60/704176660.db2.gz HJWAWHOWWYTLIL-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094408 704176662 /nfs/dbraw/zinc/17/66/62/704176662.db2.gz HJWAWHOWWYTLIL-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094408 704176665 /nfs/dbraw/zinc/17/66/65/704176665.db2.gz HJWAWHOWWYTLIL-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094408 704176668 /nfs/dbraw/zinc/17/66/68/704176668.db2.gz HJWAWHOWWYTLIL-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001032540635 704600758 /nfs/dbraw/zinc/60/07/58/704600758.db2.gz KOSWDRQYZRESHO-OKZBNKHCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001032540635 704600759 /nfs/dbraw/zinc/60/07/59/704600759.db2.gz KOSWDRQYZRESHO-OKZBNKHCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001032540635 704600762 /nfs/dbraw/zinc/60/07/62/704600762.db2.gz KOSWDRQYZRESHO-OKZBNKHCSA-N 2 2 333.476 1.349 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001032540635 704600765 /nfs/dbraw/zinc/60/07/65/704600765.db2.gz KOSWDRQYZRESHO-OKZBNKHCSA-N 2 2 333.476 1.349 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998049173 705247507 /nfs/dbraw/zinc/24/75/07/705247507.db2.gz YHMLWIXJQDLFKS-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998049173 705247510 /nfs/dbraw/zinc/24/75/10/705247510.db2.gz YHMLWIXJQDLFKS-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002040959 708562700 /nfs/dbraw/zinc/56/27/00/708562700.db2.gz ITGHAEJNPOBUBN-UHFFFAOYSA-N 2 2 337.427 1.732 20 30 EDEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001002522560 709076663 /nfs/dbraw/zinc/07/66/63/709076663.db2.gz KBKDLOKVFBEVJX-MRXNPFEDSA-N 2 2 348.472 1.031 20 30 EDEDLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001002522560 709076667 /nfs/dbraw/zinc/07/66/67/709076667.db2.gz KBKDLOKVFBEVJX-MRXNPFEDSA-N 2 2 348.472 1.031 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033952900 709134185 /nfs/dbraw/zinc/13/41/85/709134185.db2.gz HJHVRVBVCZVPLY-INIZCTEOSA-N 2 2 344.459 1.830 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033952900 709134187 /nfs/dbraw/zinc/13/41/87/709134187.db2.gz HJHVRVBVCZVPLY-INIZCTEOSA-N 2 2 344.459 1.830 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942685 709149951 /nfs/dbraw/zinc/14/99/51/709149951.db2.gz XEOHVVDOQYXXHK-WMZOPIPTSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942685 709149954 /nfs/dbraw/zinc/14/99/54/709149954.db2.gz XEOHVVDOQYXXHK-WMZOPIPTSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001003724427 710509898 /nfs/dbraw/zinc/50/98/98/710509898.db2.gz RGVIFGJQTQKELI-UHFFFAOYSA-N 2 2 333.476 1.235 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032968521 711043090 /nfs/dbraw/zinc/04/30/90/711043090.db2.gz QXYZTNMQRPZPDU-BBRMVZONSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032968521 711043093 /nfs/dbraw/zinc/04/30/93/711043093.db2.gz QXYZTNMQRPZPDU-BBRMVZONSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968521 711043096 /nfs/dbraw/zinc/04/30/96/711043096.db2.gz QXYZTNMQRPZPDU-BBRMVZONSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968521 711043099 /nfs/dbraw/zinc/04/30/99/711043099.db2.gz QXYZTNMQRPZPDU-BBRMVZONSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969770 711049643 /nfs/dbraw/zinc/04/96/43/711049643.db2.gz ZVAKVLPACKGMCO-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969770 711049646 /nfs/dbraw/zinc/04/96/46/711049646.db2.gz ZVAKVLPACKGMCO-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969770 711049649 /nfs/dbraw/zinc/04/96/49/711049649.db2.gz ZVAKVLPACKGMCO-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969770 711049652 /nfs/dbraw/zinc/04/96/52/711049652.db2.gz ZVAKVLPACKGMCO-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969772 711050097 /nfs/dbraw/zinc/05/00/97/711050097.db2.gz ZVAKVLPACKGMCO-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032969772 711050101 /nfs/dbraw/zinc/05/01/01/711050101.db2.gz ZVAKVLPACKGMCO-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969772 711050104 /nfs/dbraw/zinc/05/01/04/711050104.db2.gz ZVAKVLPACKGMCO-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032969772 711050108 /nfs/dbraw/zinc/05/01/08/711050108.db2.gz ZVAKVLPACKGMCO-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001034923774 711386625 /nfs/dbraw/zinc/38/66/25/711386625.db2.gz FRBAKNWKMWVUQL-QGZVFWFLSA-N 2 2 337.427 1.995 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1F ZINC000424134618 252136049 /nfs/dbraw/zinc/13/60/49/252136049.db2.gz KXJOPPIMILSHAI-LSDHHAIUSA-N 2 2 329.379 1.786 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCNc2cccc[nH+]2)nc1 ZINC000569837379 306522560 /nfs/dbraw/zinc/52/25/60/306522560.db2.gz PJDFHMMHHCGUBA-UHFFFAOYSA-N 2 2 345.428 1.214 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246602409 533501388 /nfs/dbraw/zinc/50/13/88/533501388.db2.gz KNJAMEFOAVGWNH-ROUUACIJSA-N 2 2 337.508 1.844 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246602409 533501395 /nfs/dbraw/zinc/50/13/95/533501395.db2.gz KNJAMEFOAVGWNH-ROUUACIJSA-N 2 2 337.508 1.844 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718613 441254140 /nfs/dbraw/zinc/25/41/40/441254140.db2.gz QRIYAOJCAZCOLP-QGZVFWFLSA-N 2 2 331.464 1.450 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718613 441254144 /nfs/dbraw/zinc/25/41/44/441254144.db2.gz QRIYAOJCAZCOLP-QGZVFWFLSA-N 2 2 331.464 1.450 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000108932305 441482070 /nfs/dbraw/zinc/48/20/70/441482070.db2.gz JAQWSPTZEKXZDV-GOSISDBHSA-N 2 2 336.439 1.971 20 30 EDEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158771402 441761438 /nfs/dbraw/zinc/76/14/38/441761438.db2.gz YWQYZFPFBVZJSA-HNNXBMFYSA-N 2 2 341.887 1.406 20 30 EDEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158771402 441761443 /nfs/dbraw/zinc/76/14/43/441761443.db2.gz YWQYZFPFBVZJSA-HNNXBMFYSA-N 2 2 341.887 1.406 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000154028985 442317571 /nfs/dbraw/zinc/31/75/71/442317571.db2.gz IGMUBNLQHKKCRP-DLBZAZTESA-N 2 2 333.476 1.043 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000154028985 442317574 /nfs/dbraw/zinc/31/75/74/442317574.db2.gz IGMUBNLQHKKCRP-DLBZAZTESA-N 2 2 333.476 1.043 20 30 EDEDLP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172941066 442571137 /nfs/dbraw/zinc/57/11/37/442571137.db2.gz OGPXXJZCEPJEAV-QGZVFWFLSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172941066 442571143 /nfs/dbraw/zinc/57/11/43/442571143.db2.gz OGPXXJZCEPJEAV-QGZVFWFLSA-N 2 2 342.443 1.541 20 30 EDEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000261965342 443176403 /nfs/dbraw/zinc/17/64/03/443176403.db2.gz LJHGMXLIBJUWAB-ZIAGYGMSSA-N 2 2 345.451 1.530 20 30 EDEDLP C#CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000274217626 443598870 /nfs/dbraw/zinc/59/88/70/443598870.db2.gz UPLBNNWYIRVGFB-UHFFFAOYSA-N 2 2 325.456 1.996 20 30 EDEDLP C#CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000274217626 443598874 /nfs/dbraw/zinc/59/88/74/443598874.db2.gz UPLBNNWYIRVGFB-UHFFFAOYSA-N 2 2 325.456 1.996 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000279959190 443650320 /nfs/dbraw/zinc/65/03/20/443650320.db2.gz PJAXVASKKNZQGZ-HOCLYGCPSA-N 2 2 330.411 1.332 20 30 EDEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCCO ZINC000287449259 443744986 /nfs/dbraw/zinc/74/49/86/443744986.db2.gz UYBCGJFXNMDDSO-UHFFFAOYSA-N 2 2 331.460 1.900 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468888 444151861 /nfs/dbraw/zinc/15/18/61/444151861.db2.gz YWPDAHHLYLJJLC-HZPDHXFCSA-N 2 2 344.459 1.826 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468888 444151863 /nfs/dbraw/zinc/15/18/63/444151863.db2.gz YWPDAHHLYLJJLC-HZPDHXFCSA-N 2 2 344.459 1.826 20 30 EDEDLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329293501 444523764 /nfs/dbraw/zinc/52/37/64/444523764.db2.gz JHQGRHNEZXOVCD-HNNXBMFYSA-N 2 2 329.448 1.791 20 30 EDEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329587175 444640327 /nfs/dbraw/zinc/64/03/27/444640327.db2.gz YPKCJKUDEVYHJV-HUUCEWRRSA-N 2 2 335.452 1.192 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000329805720 444723165 /nfs/dbraw/zinc/72/31/65/444723165.db2.gz NGRGJFUXZOIFRT-TZMCWYRMSA-N 2 2 337.468 1.315 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000329805720 444723169 /nfs/dbraw/zinc/72/31/69/444723169.db2.gz NGRGJFUXZOIFRT-TZMCWYRMSA-N 2 2 337.468 1.315 20 30 EDEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329951175 444783341 /nfs/dbraw/zinc/78/33/41/444783341.db2.gz MGLVEQXHKXKSPH-CABCVRRESA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329951175 444783345 /nfs/dbraw/zinc/78/33/45/444783345.db2.gz MGLVEQXHKXKSPH-CABCVRRESA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329951175 444783347 /nfs/dbraw/zinc/78/33/47/444783347.db2.gz MGLVEQXHKXKSPH-CABCVRRESA-N 2 2 349.479 1.137 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329951175 444783351 /nfs/dbraw/zinc/78/33/51/444783351.db2.gz MGLVEQXHKXKSPH-CABCVRRESA-N 2 2 349.479 1.137 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330178497 444874953 /nfs/dbraw/zinc/87/49/53/444874953.db2.gz DTNDZNLZJARHII-HZPDHXFCSA-N 2 2 331.464 1.776 20 30 EDEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330280384 444920275 /nfs/dbraw/zinc/92/02/75/444920275.db2.gz SIJMQIOXEWZZHC-INIZCTEOSA-N 2 2 347.463 1.156 20 30 EDEDLP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330323082 444936235 /nfs/dbraw/zinc/93/62/35/444936235.db2.gz HJRAWEKDYYSYSC-IJEWVQPXSA-N 2 2 335.452 1.628 20 30 EDEDLP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330323082 444936238 /nfs/dbraw/zinc/93/62/38/444936238.db2.gz HJRAWEKDYYSYSC-IJEWVQPXSA-N 2 2 335.452 1.628 20 30 EDEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348450 445264099 /nfs/dbraw/zinc/26/40/99/445264099.db2.gz WRCRVFVXAOOYTD-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348450 445264106 /nfs/dbraw/zinc/26/41/06/445264106.db2.gz WRCRVFVXAOOYTD-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348450 445264108 /nfs/dbraw/zinc/26/41/08/445264108.db2.gz WRCRVFVXAOOYTD-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348450 445264112 /nfs/dbraw/zinc/26/41/12/445264112.db2.gz WRCRVFVXAOOYTD-SFHVURJKSA-N 2 2 328.460 1.838 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364778975 445954098 /nfs/dbraw/zinc/95/40/98/445954098.db2.gz QHZGEYIXESZMLX-HNNXBMFYSA-N 2 2 328.460 1.806 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364778975 445954102 /nfs/dbraw/zinc/95/41/02/445954102.db2.gz QHZGEYIXESZMLX-HNNXBMFYSA-N 2 2 328.460 1.806 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375336564 446731194 /nfs/dbraw/zinc/73/11/94/446731194.db2.gz OHRZSGIIGVESAB-SFHVURJKSA-N 2 2 342.487 1.959 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375336564 446731200 /nfs/dbraw/zinc/73/12/00/446731200.db2.gz OHRZSGIIGVESAB-SFHVURJKSA-N 2 2 342.487 1.959 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2ccc(C#N)cn12 ZINC000371470361 446874696 /nfs/dbraw/zinc/87/46/96/446874696.db2.gz KZIOPGHDIMVOTC-NJAFHUGGSA-N 2 2 339.443 1.889 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2ccc(C#N)cn12 ZINC000371470361 446874705 /nfs/dbraw/zinc/87/47/05/446874705.db2.gz KZIOPGHDIMVOTC-NJAFHUGGSA-N 2 2 339.443 1.889 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000375737662 447012906 /nfs/dbraw/zinc/01/29/06/447012906.db2.gz DOZGJDNFNZKNGN-OAHLLOKOSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000375737662 447012913 /nfs/dbraw/zinc/01/29/13/447012913.db2.gz DOZGJDNFNZKNGN-OAHLLOKOSA-N 2 2 330.407 1.596 20 30 EDEDLP CN(C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000534581306 448454246 /nfs/dbraw/zinc/45/42/46/448454246.db2.gz DWDOXFHQJUBPRT-OAHLLOKOSA-N 2 2 329.448 1.894 20 30 EDEDLP CN(C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000534581306 448454249 /nfs/dbraw/zinc/45/42/49/448454249.db2.gz DWDOXFHQJUBPRT-OAHLLOKOSA-N 2 2 329.448 1.894 20 30 EDEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591742800 448478849 /nfs/dbraw/zinc/47/88/49/448478849.db2.gz HTVJLXLOWSGPCV-QZTJIDSGSA-N 2 2 331.460 1.956 20 30 EDEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591742803 448479098 /nfs/dbraw/zinc/47/90/98/448479098.db2.gz HTVJLXLOWSGPCV-ZWKOTPCHSA-N 2 2 331.460 1.956 20 30 EDEDLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccncc3C#N)CC2)CC1 ZINC000592104201 448686514 /nfs/dbraw/zinc/68/65/14/448686514.db2.gz RGMXPAUEELTCBD-UHFFFAOYSA-N 2 2 327.476 1.803 20 30 EDEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000573854837 448730121 /nfs/dbraw/zinc/73/01/21/448730121.db2.gz UXUULNLYKBORCT-SFHVURJKSA-N 2 2 346.500 1.809 20 30 EDEDLP Cn1cnc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000592373280 448810560 /nfs/dbraw/zinc/81/05/60/448810560.db2.gz NEANXYOSQZHBJP-UHFFFAOYSA-N 2 2 338.459 1.874 20 30 EDEDLP CN(CC[N@H+](C)Cc1cnc2ccc(C#N)cn12)C1CC[NH+](C)CC1 ZINC000589195124 448986160 /nfs/dbraw/zinc/98/61/60/448986160.db2.gz QAKZKRWUWNJHGC-UHFFFAOYSA-N 2 2 340.475 1.664 20 30 EDEDLP CN(CC[N@@H+](C)Cc1cnc2ccc(C#N)cn12)C1CC[NH+](C)CC1 ZINC000589195124 448986165 /nfs/dbraw/zinc/98/61/65/448986165.db2.gz QAKZKRWUWNJHGC-UHFFFAOYSA-N 2 2 340.475 1.664 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnc2ccc(C#N)cn12 ZINC000589195124 448986170 /nfs/dbraw/zinc/98/61/70/448986170.db2.gz QAKZKRWUWNJHGC-UHFFFAOYSA-N 2 2 340.475 1.664 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnc2ccc(C#N)cn12 ZINC000589195124 448986174 /nfs/dbraw/zinc/98/61/74/448986174.db2.gz QAKZKRWUWNJHGC-UHFFFAOYSA-N 2 2 340.475 1.664 20 30 EDEDLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599933677 449114636 /nfs/dbraw/zinc/11/46/36/449114636.db2.gz HZUPCGUAVVQCGM-ZWKOTPCHSA-N 2 2 341.459 1.526 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000611255149 449238691 /nfs/dbraw/zinc/23/86/91/449238691.db2.gz HNQITXGOXNSLAN-UHFFFAOYSA-N 2 2 340.471 1.754 20 30 EDEDLP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595978300 449294879 /nfs/dbraw/zinc/29/48/79/449294879.db2.gz UOWNCJCGBZRIOM-IRXDYDNUSA-N 3 2 335.496 1.025 20 30 EDEDLP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595978300 449294884 /nfs/dbraw/zinc/29/48/84/449294884.db2.gz UOWNCJCGBZRIOM-IRXDYDNUSA-N 3 2 335.496 1.025 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1F ZINC000611587895 449349054 /nfs/dbraw/zinc/34/90/54/449349054.db2.gz LOZDUKXBHSXQFF-WBVHZDCISA-N 2 2 346.450 1.754 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602083402 449331279 /nfs/dbraw/zinc/33/12/79/449331279.db2.gz XYFIUQYCGMJYJI-UHFFFAOYSA-N 2 2 341.415 1.885 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000596047853 449335964 /nfs/dbraw/zinc/33/59/64/449335964.db2.gz SHSRFONNTQXRMA-KDOFPFPSSA-N 2 2 342.443 1.728 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594445399 449522402 /nfs/dbraw/zinc/52/24/02/449522402.db2.gz FDOGLXRZQJACBX-MSOLQXFVSA-N 2 2 344.459 1.415 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594445399 449522407 /nfs/dbraw/zinc/52/24/07/449522407.db2.gz FDOGLXRZQJACBX-MSOLQXFVSA-N 2 2 344.459 1.415 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC000612129926 449575105 /nfs/dbraw/zinc/57/51/05/449575105.db2.gz KHWBATFYCCHSHL-CRAIPNDOSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC000612129926 449575110 /nfs/dbraw/zinc/57/51/10/449575110.db2.gz KHWBATFYCCHSHL-CRAIPNDOSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000596579779 449560701 /nfs/dbraw/zinc/56/07/01/449560701.db2.gz DHPNTYQRNKLDED-SFHVURJKSA-N 2 2 343.475 1.728 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000596579779 449560706 /nfs/dbraw/zinc/56/07/06/449560706.db2.gz DHPNTYQRNKLDED-SFHVURJKSA-N 2 2 343.475 1.728 20 30 EDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)cc1 ZINC000594942745 449815250 /nfs/dbraw/zinc/81/52/50/449815250.db2.gz KVMHXHLPNDLVOQ-QGZVFWFLSA-N 2 2 335.411 1.986 20 30 EDEDLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975939 449976788 /nfs/dbraw/zinc/97/67/88/449976788.db2.gz IZFMOKBDFZZZFQ-SJORKVTESA-N 2 2 341.459 1.744 20 30 EDEDLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975939 449976793 /nfs/dbraw/zinc/97/67/93/449976793.db2.gz IZFMOKBDFZZZFQ-SJORKVTESA-N 2 2 341.459 1.744 20 30 EDEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599473117 450002191 /nfs/dbraw/zinc/00/21/91/450002191.db2.gz XBBGFODVYOGNNI-UHFFFAOYSA-N 2 2 342.443 1.683 20 30 EDEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000609625439 450074792 /nfs/dbraw/zinc/07/47/92/450074792.db2.gz YTYDVRHZBLGEHK-GOSISDBHSA-N 2 2 349.523 1.141 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000662676337 453394414 /nfs/dbraw/zinc/39/44/14/453394414.db2.gz VJTRXFDVXNGQSA-BEFAXECRSA-N 2 2 344.459 1.621 20 30 EDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664806195 453418032 /nfs/dbraw/zinc/41/80/32/453418032.db2.gz KMIZRPCMNGQTSP-HZPDHXFCSA-N 2 2 326.485 1.150 20 30 EDEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664806195 453418039 /nfs/dbraw/zinc/41/80/39/453418039.db2.gz KMIZRPCMNGQTSP-HZPDHXFCSA-N 2 2 326.485 1.150 20 30 EDEDLP C#CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000127746226 526698798 /nfs/dbraw/zinc/69/87/98/526698798.db2.gz FWWIRJATQWQETN-JWTNVVGKSA-N 2 2 332.492 1.742 20 30 EDEDLP C#CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000127746226 526698804 /nfs/dbraw/zinc/69/88/04/526698804.db2.gz FWWIRJATQWQETN-JWTNVVGKSA-N 2 2 332.492 1.742 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000730103813 578614703 /nfs/dbraw/zinc/61/47/03/578614703.db2.gz GAXBOTHPTKYLBG-ROUUACIJSA-N 2 2 335.492 1.337 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000730103813 578614705 /nfs/dbraw/zinc/61/47/05/578614705.db2.gz GAXBOTHPTKYLBG-ROUUACIJSA-N 2 2 335.492 1.337 20 30 EDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000731153034 578669129 /nfs/dbraw/zinc/66/91/29/578669129.db2.gz WIFLXAJIRMLPSX-HNNXBMFYSA-N 2 2 333.399 1.772 20 30 EDEDLP C#CCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000764453837 580120538 /nfs/dbraw/zinc/12/05/38/580120538.db2.gz LDGCQBOFJLWFOI-CQSZACIVSA-N 2 2 337.493 1.348 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000765816169 580151927 /nfs/dbraw/zinc/15/19/27/580151927.db2.gz XKSQLKYMZVOENP-NEWSRXKRSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000765816169 580151928 /nfs/dbraw/zinc/15/19/28/580151928.db2.gz XKSQLKYMZVOENP-NEWSRXKRSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000765816169 580151929 /nfs/dbraw/zinc/15/19/29/580151929.db2.gz XKSQLKYMZVOENP-NEWSRXKRSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000765816169 580151930 /nfs/dbraw/zinc/15/19/30/580151930.db2.gz XKSQLKYMZVOENP-NEWSRXKRSA-N 2 2 325.456 1.721 20 30 EDEDLP NC(=[NH+]OC[C@H]1CCCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000769877450 580247597 /nfs/dbraw/zinc/24/75/97/580247597.db2.gz JWTWVQGJEKNBBQ-INIZCTEOSA-N 2 2 333.432 1.582 20 30 EDEDLP CCN(CC)c1ncc(C=[NH+]NCCC[NH+]2CCOCC2)s1 ZINC000799490818 581029563 /nfs/dbraw/zinc/02/95/63/581029563.db2.gz UVORVHLGBLHKKP-UHFFFAOYSA-N 2 2 325.482 1.635 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799492953 581029676 /nfs/dbraw/zinc/02/96/76/581029676.db2.gz ZVKUFVFUTXZMDS-QGZVFWFLSA-N 2 2 330.476 1.806 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNCCC[NH+]1CCOCC1 ZINC000799492953 581029677 /nfs/dbraw/zinc/02/96/77/581029677.db2.gz ZVKUFVFUTXZMDS-QGZVFWFLSA-N 2 2 330.476 1.806 20 30 EDEDLP N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900370263 591999310 /nfs/dbraw/zinc/99/93/10/591999310.db2.gz ZZGFFPWKBSCCGN-UHFFFAOYSA-N 2 2 333.798 1.898 20 30 EDEDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(C#N)ccn1 ZINC000902750291 592057091 /nfs/dbraw/zinc/05/70/91/592057091.db2.gz DNWALIXXNUMSHH-HNNXBMFYSA-N 2 2 336.443 1.951 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912506093 593101296 /nfs/dbraw/zinc/10/12/96/593101296.db2.gz IVTIMLSDQUGJFH-MRXNPFEDSA-N 3 2 339.528 1.137 20 30 EDEDLP C[N@H+]1CCC[C@@H]1CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912506093 593101297 /nfs/dbraw/zinc/10/12/97/593101297.db2.gz IVTIMLSDQUGJFH-MRXNPFEDSA-N 3 2 339.528 1.137 20 30 EDEDLP CC#CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815282434 593624722 /nfs/dbraw/zinc/62/47/22/593624722.db2.gz SHHIYMTXVLXPPM-GOSISDBHSA-N 2 2 331.460 1.133 20 30 EDEDLP CC#CC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815282434 593624723 /nfs/dbraw/zinc/62/47/23/593624723.db2.gz SHHIYMTXVLXPPM-GOSISDBHSA-N 2 2 331.460 1.133 20 30 EDEDLP C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052888 594319391 /nfs/dbraw/zinc/31/93/91/594319391.db2.gz PTPPYRHETORXHT-IAGOWNOFSA-N 2 2 332.492 1.600 20 30 EDEDLP C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052888 594319392 /nfs/dbraw/zinc/31/93/92/594319392.db2.gz PTPPYRHETORXHT-IAGOWNOFSA-N 2 2 332.492 1.600 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844368649 595331944 /nfs/dbraw/zinc/33/19/44/595331944.db2.gz SMMHSXXIIWMRIF-QAPCUYQASA-N 2 2 344.459 1.076 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844368649 595331946 /nfs/dbraw/zinc/33/19/46/595331946.db2.gz SMMHSXXIIWMRIF-QAPCUYQASA-N 2 2 344.459 1.076 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000865640142 596635766 /nfs/dbraw/zinc/63/57/66/596635766.db2.gz XCPUUSBRKVOMNZ-KRWDZBQOSA-N 2 2 329.448 1.054 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000865640142 596635767 /nfs/dbraw/zinc/63/57/67/596635767.db2.gz XCPUUSBRKVOMNZ-KRWDZBQOSA-N 2 2 329.448 1.054 20 30 EDEDLP C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729420 596679625 /nfs/dbraw/zinc/67/96/25/596679625.db2.gz NWYZNGVVZNXINI-PBHICJAKSA-N 2 2 333.432 1.581 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccc(OC)cc3)C2)CC1 ZINC000870139747 596767810 /nfs/dbraw/zinc/76/78/10/596767810.db2.gz REJDBBXIMROKNK-IBGZPJMESA-N 2 2 341.455 1.513 20 30 EDEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)cc1 ZINC000877983566 597567844 /nfs/dbraw/zinc/56/78/44/597567844.db2.gz QOPGWSHATWLXAN-UHFFFAOYSA-N 2 2 331.460 1.894 20 30 EDEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)cc1 ZINC000877983566 597567845 /nfs/dbraw/zinc/56/78/45/597567845.db2.gz QOPGWSHATWLXAN-UHFFFAOYSA-N 2 2 331.460 1.894 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000917137593 696950228 /nfs/dbraw/zinc/95/02/28/696950228.db2.gz SLARENBUQHKMEG-UHFFFAOYSA-N 2 2 337.493 1.654 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939408264 699562800 /nfs/dbraw/zinc/56/28/00/699562800.db2.gz MYQAWXKAFPLGAL-WBMJQRKESA-N 2 2 341.390 1.600 20 30 EDEDLP O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C12CC[NH+](CC1)C2 ZINC001032130063 701833375 /nfs/dbraw/zinc/83/33/75/701833375.db2.gz FKDKKNVLKJDWCR-UHFFFAOYSA-N 2 2 341.430 1.321 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000999036256 706450997 /nfs/dbraw/zinc/45/09/97/706450997.db2.gz UPCVGXOVXKSPFR-QGZVFWFLSA-N 2 2 337.427 1.995 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999397256 706891393 /nfs/dbraw/zinc/89/13/93/706891393.db2.gz LHRRLQVEWXADJA-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC000999397256 706891395 /nfs/dbraw/zinc/89/13/95/706891395.db2.gz LHRRLQVEWXADJA-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001032827196 709291536 /nfs/dbraw/zinc/29/15/36/709291536.db2.gz VFOCSRFNLKNBHS-SQNIBIBYSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001032827196 709291537 /nfs/dbraw/zinc/29/15/37/709291537.db2.gz VFOCSRFNLKNBHS-SQNIBIBYSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032827196 709291539 /nfs/dbraw/zinc/29/15/39/709291539.db2.gz VFOCSRFNLKNBHS-SQNIBIBYSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032827196 709291541 /nfs/dbraw/zinc/29/15/41/709291541.db2.gz VFOCSRFNLKNBHS-SQNIBIBYSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001005518488 709487995 /nfs/dbraw/zinc/48/79/95/709487995.db2.gz MMOWJEOYFMNIOJ-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001005518488 709487997 /nfs/dbraw/zinc/48/79/97/709487997.db2.gz MMOWJEOYFMNIOJ-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034663872 710333254 /nfs/dbraw/zinc/33/32/54/710333254.db2.gz NNAPDMUBUOUBFV-KKUMJFAQSA-N 2 2 347.488 1.153 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034663872 710333257 /nfs/dbraw/zinc/33/32/57/710333257.db2.gz NNAPDMUBUOUBFV-KKUMJFAQSA-N 2 2 347.488 1.153 20 30 EDEDLP CC1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004587154 712021757 /nfs/dbraw/zinc/02/17/57/712021757.db2.gz XFYGCCATUYKSMA-GOSISDBHSA-N 2 2 332.492 1.945 20 30 EDEDLP CC1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004587154 712021760 /nfs/dbraw/zinc/02/17/60/712021760.db2.gz XFYGCCATUYKSMA-GOSISDBHSA-N 2 2 332.492 1.945 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649171 712175293 /nfs/dbraw/zinc/17/52/93/712175293.db2.gz OUMNCQKSGPBTAP-YESZJQIVSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649171 712175294 /nfs/dbraw/zinc/17/52/94/712175294.db2.gz OUMNCQKSGPBTAP-YESZJQIVSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001033155131 712190480 /nfs/dbraw/zinc/19/04/80/712190480.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033155131 712190482 /nfs/dbraw/zinc/19/04/82/712190482.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033155131 712190483 /nfs/dbraw/zinc/19/04/83/712190483.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2scnc2C)C1 ZINC001033155131 712190484 /nfs/dbraw/zinc/19/04/84/712190484.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033161171 712262923 /nfs/dbraw/zinc/26/29/23/712262923.db2.gz KASIBQLRANSGMK-RDJZCZTQSA-N 2 2 346.500 1.316 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033161171 712262924 /nfs/dbraw/zinc/26/29/24/712262924.db2.gz KASIBQLRANSGMK-RDJZCZTQSA-N 2 2 346.500 1.316 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033161171 712262926 /nfs/dbraw/zinc/26/29/26/712262926.db2.gz KASIBQLRANSGMK-RDJZCZTQSA-N 2 2 346.500 1.316 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033161171 712262927 /nfs/dbraw/zinc/26/29/27/712262927.db2.gz KASIBQLRANSGMK-RDJZCZTQSA-N 2 2 346.500 1.316 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000374420634 282211207 /nfs/dbraw/zinc/21/12/07/282211207.db2.gz MCOLWHGTQZAMQP-BRWVUGGUSA-N 2 2 348.491 1.513 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1(C#N)CCCCC1 ZINC000374420634 282211208 /nfs/dbraw/zinc/21/12/08/282211208.db2.gz MCOLWHGTQZAMQP-BRWVUGGUSA-N 2 2 348.491 1.513 20 30 EDEDLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418717747 251395662 /nfs/dbraw/zinc/39/56/62/251395662.db2.gz ZUSSAOSDKPKSNF-INIZCTEOSA-N 2 2 343.475 1.903 20 30 EDEDLP C=CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493046757 255189690 /nfs/dbraw/zinc/18/96/90/255189690.db2.gz KNFMRWXQIKHUST-BVBGJJFLSA-N 2 2 345.443 1.375 20 30 EDEDLP C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493046757 255189691 /nfs/dbraw/zinc/18/96/91/255189691.db2.gz KNFMRWXQIKHUST-BVBGJJFLSA-N 2 2 345.443 1.375 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027189 447314182 /nfs/dbraw/zinc/31/41/82/447314182.db2.gz WCNIUGAIKBQSSQ-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027189 447314187 /nfs/dbraw/zinc/31/41/87/447314187.db2.gz WCNIUGAIKBQSSQ-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000186259166 442498259 /nfs/dbraw/zinc/49/82/59/442498259.db2.gz SKMDYKJWVCVRSJ-GOSISDBHSA-N 2 2 326.444 1.605 20 30 EDEDLP Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000186259166 442498265 /nfs/dbraw/zinc/49/82/65/442498265.db2.gz SKMDYKJWVCVRSJ-GOSISDBHSA-N 2 2 326.444 1.605 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(C#N)c3)C2)CC1 ZINC000135059313 442551523 /nfs/dbraw/zinc/55/15/23/442551523.db2.gz HXHRPVRCJSMBCW-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c(C#N)c3)C2)CC1 ZINC000135059313 442551528 /nfs/dbraw/zinc/55/15/28/442551528.db2.gz HXHRPVRCJSMBCW-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000181979562 442724734 /nfs/dbraw/zinc/72/47/34/442724734.db2.gz IEODPPZAMVHPPA-CRAIPNDOSA-N 2 2 342.443 1.142 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N(C)Cc1ccon1 ZINC000261843811 443171486 /nfs/dbraw/zinc/17/14/86/443171486.db2.gz WYLZMKNKBUNJOC-UHFFFAOYSA-N 2 2 325.376 1.463 20 30 EDEDLP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963784 443176563 /nfs/dbraw/zinc/17/65/63/443176563.db2.gz KYGBDHKSJRRZNR-DOTOQJQBSA-N 3 2 343.479 1.937 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264141323 443252741 /nfs/dbraw/zinc/25/27/41/443252741.db2.gz WMVAHHDESAPXFT-OCCSQVGLSA-N 2 2 338.452 1.246 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000278644872 443388716 /nfs/dbraw/zinc/38/87/16/443388716.db2.gz OEASOKOJUMVHPD-UHFFFAOYSA-N 2 2 337.427 1.867 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000278644872 443388721 /nfs/dbraw/zinc/38/87/21/443388721.db2.gz OEASOKOJUMVHPD-UHFFFAOYSA-N 2 2 337.427 1.867 20 30 EDEDLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000328651630 444414876 /nfs/dbraw/zinc/41/48/76/444414876.db2.gz BOYYWRBYSOILIJ-HNNXBMFYSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000328651630 444414878 /nfs/dbraw/zinc/41/48/78/444414878.db2.gz BOYYWRBYSOILIJ-HNNXBMFYSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000328651630 444414880 /nfs/dbraw/zinc/41/48/80/444414880.db2.gz BOYYWRBYSOILIJ-HNNXBMFYSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000328651630 444414881 /nfs/dbraw/zinc/41/48/81/444414881.db2.gz BOYYWRBYSOILIJ-HNNXBMFYSA-N 2 2 326.485 1.333 20 30 EDEDLP [O-]C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329539241 444619918 /nfs/dbraw/zinc/61/99/18/444619918.db2.gz CJFNAHUXCLDPRV-DZGCQCFKSA-N 2 2 347.463 1.272 20 30 EDEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330280385 444920025 /nfs/dbraw/zinc/92/00/25/444920025.db2.gz SIJMQIOXEWZZHC-MRXNPFEDSA-N 2 2 347.463 1.156 20 30 EDEDLP C[NH+](C)[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330631061 445070189 /nfs/dbraw/zinc/07/01/89/445070189.db2.gz FDDQLGSWLLXNHF-NSHDSACASA-N 2 2 333.358 1.885 20 30 EDEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348448 445264314 /nfs/dbraw/zinc/26/43/14/445264314.db2.gz WRCRVFVXAOOYTD-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348448 445264319 /nfs/dbraw/zinc/26/43/19/445264319.db2.gz WRCRVFVXAOOYTD-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348448 445264321 /nfs/dbraw/zinc/26/43/21/445264321.db2.gz WRCRVFVXAOOYTD-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000348348448 445264326 /nfs/dbraw/zinc/26/43/26/445264326.db2.gz WRCRVFVXAOOYTD-GOSISDBHSA-N 2 2 328.460 1.838 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353450219 445607172 /nfs/dbraw/zinc/60/71/72/445607172.db2.gz PCNKLPZACSUQQN-LPHOPBHVSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353450219 445607174 /nfs/dbraw/zinc/60/71/74/445607174.db2.gz PCNKLPZACSUQQN-LPHOPBHVSA-N 2 2 337.508 1.842 20 30 EDEDLP C=CCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000369480407 446124478 /nfs/dbraw/zinc/12/44/78/446124478.db2.gz NOPSWMHLGRAGHI-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=CCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369480407 446124482 /nfs/dbraw/zinc/12/44/82/446124482.db2.gz NOPSWMHLGRAGHI-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=CCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369480407 446124486 /nfs/dbraw/zinc/12/44/86/446124486.db2.gz NOPSWMHLGRAGHI-LJQANCHMSA-N 2 2 345.487 1.902 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117630 446510926 /nfs/dbraw/zinc/51/09/26/446510926.db2.gz RIPHVYLIHARXBE-SFHVURJKSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117630 446510930 /nfs/dbraw/zinc/51/09/30/446510930.db2.gz RIPHVYLIHARXBE-SFHVURJKSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367117630 446510932 /nfs/dbraw/zinc/51/09/32/446510932.db2.gz RIPHVYLIHARXBE-SFHVURJKSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367117630 446510934 /nfs/dbraw/zinc/51/09/34/446510934.db2.gz RIPHVYLIHARXBE-SFHVURJKSA-N 2 2 336.524 1.511 20 30 EDEDLP C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368145645 446667946 /nfs/dbraw/zinc/66/79/46/446667946.db2.gz BKRMAPLBSONUOQ-GOSISDBHSA-N 2 2 325.456 1.495 20 30 EDEDLP C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368145645 446667953 /nfs/dbraw/zinc/66/79/53/446667953.db2.gz BKRMAPLBSONUOQ-GOSISDBHSA-N 2 2 325.456 1.495 20 30 EDEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358202 446867925 /nfs/dbraw/zinc/86/79/25/446867925.db2.gz SONLDTDCBKWNLK-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358202 446867933 /nfs/dbraw/zinc/86/79/33/446867933.db2.gz SONLDTDCBKWNLK-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358202 446867938 /nfs/dbraw/zinc/86/79/38/446867938.db2.gz SONLDTDCBKWNLK-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358202 446867945 /nfs/dbraw/zinc/86/79/45/446867945.db2.gz SONLDTDCBKWNLK-GOSISDBHSA-N 2 2 328.460 1.981 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000424509362 446886715 /nfs/dbraw/zinc/88/67/15/446886715.db2.gz OTJPDPNGYOITMA-NXHRZFHOSA-N 2 2 335.492 1.595 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000424509362 446886724 /nfs/dbraw/zinc/88/67/24/446886724.db2.gz OTJPDPNGYOITMA-NXHRZFHOSA-N 2 2 335.492 1.595 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377484701 447155495 /nfs/dbraw/zinc/15/54/95/447155495.db2.gz HIEKEAGXLQKQBW-QGZVFWFLSA-N 2 2 343.475 1.992 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC1 ZINC000490866857 447901619 /nfs/dbraw/zinc/90/16/19/447901619.db2.gz WGARVGBWPNDAHA-UHFFFAOYSA-N 2 2 348.516 1.357 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000582410149 448229161 /nfs/dbraw/zinc/22/91/61/448229161.db2.gz HELHFFUEDFUXGT-QGZVFWFLSA-N 2 2 327.432 1.137 20 30 EDEDLP Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[N@H+](C)CCC#N)[NH+](C)C ZINC000567493914 448702032 /nfs/dbraw/zinc/70/20/32/448702032.db2.gz MOUWOUWSGDENGG-AOIWGVFYSA-N 2 2 332.492 1.782 20 30 EDEDLP Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)[NH+](C)C ZINC000567493914 448702034 /nfs/dbraw/zinc/70/20/34/448702034.db2.gz MOUWOUWSGDENGG-AOIWGVFYSA-N 2 2 332.492 1.782 20 30 EDEDLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931441 448751334 /nfs/dbraw/zinc/75/13/34/448751334.db2.gz VBVZQQHSFXGRJI-ZBFHGGJFSA-N 2 2 326.400 1.122 20 30 EDEDLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000573931441 448751337 /nfs/dbraw/zinc/75/13/37/448751337.db2.gz VBVZQQHSFXGRJI-ZBFHGGJFSA-N 2 2 326.400 1.122 20 30 EDEDLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592217895 448752885 /nfs/dbraw/zinc/75/28/85/448752885.db2.gz XHBCEKJDADEKSH-CABCVRRESA-N 2 2 329.448 1.511 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000592956421 449076603 /nfs/dbraw/zinc/07/66/03/449076603.db2.gz JXWOGWUEHHXBGP-HNNXBMFYSA-N 2 2 343.431 1.034 20 30 EDEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598730373 449567852 /nfs/dbraw/zinc/56/78/52/449567852.db2.gz UMSVGLGVDKLRSU-MOPGFXCFSA-N 2 2 344.503 1.693 20 30 EDEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598730373 449567855 /nfs/dbraw/zinc/56/78/55/449567855.db2.gz UMSVGLGVDKLRSU-MOPGFXCFSA-N 2 2 344.503 1.693 20 30 EDEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814424 449559601 /nfs/dbraw/zinc/55/96/01/449559601.db2.gz PSHMEVJWRFEHFK-UHFFFAOYSA-N 2 2 326.444 1.687 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccnc(C#N)c3)CC2)CC1 ZINC000603137212 450086978 /nfs/dbraw/zinc/08/69/78/450086978.db2.gz YVYCASOUSSDDQG-UHFFFAOYSA-N 2 2 342.447 1.633 20 30 EDEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000619718496 450318151 /nfs/dbraw/zinc/31/81/51/450318151.db2.gz OJUKKHMRWYRHLZ-HNNXBMFYSA-N 2 2 339.480 1.130 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000657432691 452246889 /nfs/dbraw/zinc/24/68/89/452246889.db2.gz PDQONAWZACGTNL-LJQANCHMSA-N 2 2 341.459 1.711 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000657432691 452246896 /nfs/dbraw/zinc/24/68/96/452246896.db2.gz PDQONAWZACGTNL-LJQANCHMSA-N 2 2 341.459 1.711 20 30 EDEDLP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900400 453594021 /nfs/dbraw/zinc/59/40/21/453594021.db2.gz LLXWXNXOJJJLAB-HKUYNNGSSA-N 3 2 334.508 1.312 20 30 EDEDLP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900400 453594023 /nfs/dbraw/zinc/59/40/23/453594023.db2.gz LLXWXNXOJJJLAB-HKUYNNGSSA-N 3 2 334.508 1.312 20 30 EDEDLP C=C(C)COCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216463 486976125 /nfs/dbraw/zinc/97/61/25/486976125.db2.gz CLZFUHRBIGRMBY-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=C(C)COCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216463 486976129 /nfs/dbraw/zinc/97/61/29/486976129.db2.gz CLZFUHRBIGRMBY-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000108932982 526924591 /nfs/dbraw/zinc/92/45/91/526924591.db2.gz MXSRVAVTRNCABD-UHFFFAOYSA-N 2 2 326.444 1.512 20 30 EDEDLP CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792025 578282058 /nfs/dbraw/zinc/28/20/58/578282058.db2.gz FWABQSOTQYETQC-AWEZNQCLSA-N 2 2 348.447 1.070 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000730106370 578615120 /nfs/dbraw/zinc/61/51/20/578615120.db2.gz YXULHOITZMGAGD-SFHVURJKSA-N 2 2 326.444 1.260 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000730106370 578615121 /nfs/dbraw/zinc/61/51/21/578615121.db2.gz YXULHOITZMGAGD-SFHVURJKSA-N 2 2 326.444 1.260 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000748809895 579700837 /nfs/dbraw/zinc/70/08/37/579700837.db2.gz MXMFEEYWMRICHR-OAHLLOKOSA-N 2 2 345.443 1.132 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000765816178 580151869 /nfs/dbraw/zinc/15/18/69/580151869.db2.gz XKSQLKYMZVOENP-UHOSZYNNSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000765816178 580151870 /nfs/dbraw/zinc/15/18/70/580151870.db2.gz XKSQLKYMZVOENP-UHOSZYNNSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000765816178 580151871 /nfs/dbraw/zinc/15/18/71/580151871.db2.gz XKSQLKYMZVOENP-UHOSZYNNSA-N 2 2 325.456 1.721 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000765816178 580151872 /nfs/dbraw/zinc/15/18/72/580151872.db2.gz XKSQLKYMZVOENP-UHOSZYNNSA-N 2 2 325.456 1.721 20 30 EDEDLP N#CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767461431 580190447 /nfs/dbraw/zinc/19/04/47/580190447.db2.gz JWEGOXKPHITDNE-GOSISDBHSA-N 2 2 342.443 1.503 20 30 EDEDLP N#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767461431 580190448 /nfs/dbraw/zinc/19/04/48/580190448.db2.gz JWEGOXKPHITDNE-GOSISDBHSA-N 2 2 342.443 1.503 20 30 EDEDLP Cc1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1C ZINC000767828802 580201319 /nfs/dbraw/zinc/20/13/19/580201319.db2.gz SMWDQMKTBDOQSF-UHFFFAOYSA-N 2 2 343.431 1.398 20 30 EDEDLP CC(C)Cn1ncnc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000778597558 580468300 /nfs/dbraw/zinc/46/83/00/580468300.db2.gz OJVKUVOZFCLYAL-UHFFFAOYSA-N 2 2 330.436 1.833 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000796616728 580958258 /nfs/dbraw/zinc/95/82/58/580958258.db2.gz BEKWMVJGOMDLEZ-IEBWSBKVSA-N 2 2 325.456 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000796616728 580958259 /nfs/dbraw/zinc/95/82/59/580958259.db2.gz BEKWMVJGOMDLEZ-IEBWSBKVSA-N 2 2 325.456 1.847 20 30 EDEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNc1cccc[nH+]1 ZINC000900245585 591957907 /nfs/dbraw/zinc/95/79/07/591957907.db2.gz LRUFPAPQVBPNSO-UHFFFAOYSA-N 2 2 337.427 1.956 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000903087271 592117652 /nfs/dbraw/zinc/11/76/52/592117652.db2.gz FDBLAQODTSKZHT-AEFFLSMTSA-N 2 2 343.475 1.400 20 30 EDEDLP C=CCN1CCN(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000817371774 593596972 /nfs/dbraw/zinc/59/69/72/593596972.db2.gz CFMKPOYGLFAWPZ-UHFFFAOYSA-N 2 2 349.523 1.360 20 30 EDEDLP C=CCN1CCN(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000817371774 593596974 /nfs/dbraw/zinc/59/69/74/593596974.db2.gz CFMKPOYGLFAWPZ-UHFFFAOYSA-N 2 2 349.523 1.360 20 30 EDEDLP C=CCN1CCN(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000817371774 593596975 /nfs/dbraw/zinc/59/69/75/593596975.db2.gz CFMKPOYGLFAWPZ-UHFFFAOYSA-N 2 2 349.523 1.360 20 30 EDEDLP C=CCN1CCN(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000817371774 593596977 /nfs/dbraw/zinc/59/69/77/593596977.db2.gz CFMKPOYGLFAWPZ-UHFFFAOYSA-N 2 2 349.523 1.360 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000824583992 594042432 /nfs/dbraw/zinc/04/24/32/594042432.db2.gz UMSQPBNHBLILFV-IBGZPJMESA-N 2 2 330.476 1.973 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000824583992 594042434 /nfs/dbraw/zinc/04/24/34/594042434.db2.gz UMSQPBNHBLILFV-IBGZPJMESA-N 2 2 330.476 1.973 20 30 EDEDLP NC(=[NH+]OCCc1cscn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025505 595004764 /nfs/dbraw/zinc/00/47/64/595004764.db2.gz WYHVCAMWVRFBTK-UHFFFAOYSA-N 2 2 346.456 1.855 20 30 EDEDLP C[NH+]=C(NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)NC1CC1 ZINC000849049006 595475451 /nfs/dbraw/zinc/47/54/51/595475451.db2.gz AASUBMWECAVCOV-UHFFFAOYSA-N 2 2 331.464 1.145 20 30 EDEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000852752723 595526781 /nfs/dbraw/zinc/52/67/81/595526781.db2.gz JEKRNAAIIPEXGL-UHFFFAOYSA-N 2 2 349.500 1.364 20 30 EDEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000852752723 595526782 /nfs/dbraw/zinc/52/67/82/595526782.db2.gz JEKRNAAIIPEXGL-UHFFFAOYSA-N 2 2 349.500 1.364 20 30 EDEDLP C#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000883371189 597725407 /nfs/dbraw/zinc/72/54/07/597725407.db2.gz APUBIARANUYWBB-HXUWFJFHSA-N 2 2 327.472 1.554 20 30 EDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884190148 598020835 /nfs/dbraw/zinc/02/08/35/598020835.db2.gz XAQOYZVHPRLMLS-QRHJNKNDSA-N 2 2 329.448 1.553 20 30 EDEDLP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000992849413 695407334 /nfs/dbraw/zinc/40/73/34/695407334.db2.gz DNUMKKHJUWZCPY-CWRNSKLLSA-N 2 2 336.867 1.932 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](C#N)C3)CC2)CC1 ZINC000915501101 695935137 /nfs/dbraw/zinc/93/51/37/695935137.db2.gz YSGOEOMXFSQYAS-OAHLLOKOSA-N 2 2 333.480 1.490 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031579888 697275469 /nfs/dbraw/zinc/27/54/69/697275469.db2.gz NRSHGEKYGJUXEH-QGZVFWFLSA-N 2 2 342.443 1.209 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031579888 697275470 /nfs/dbraw/zinc/27/54/70/697275470.db2.gz NRSHGEKYGJUXEH-QGZVFWFLSA-N 2 2 342.443 1.209 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cc1 ZINC001031776564 699152696 /nfs/dbraw/zinc/15/26/96/699152696.db2.gz WVHUAHXMMUARDF-SFHVURJKSA-N 2 2 349.438 1.565 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939213028 699361951 /nfs/dbraw/zinc/36/19/51/699361951.db2.gz ARDRJZLEOSWNRZ-IAQYHMDHSA-N 2 2 329.429 1.522 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000941639341 701602982 /nfs/dbraw/zinc/60/29/82/701602982.db2.gz QFYOVGSZZUQNEQ-UHFFFAOYSA-N 2 2 331.464 1.092 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997185725 703474909 /nfs/dbraw/zinc/47/49/09/703474909.db2.gz JCWWMIFOQBXISV-CQSZACIVSA-N 2 2 332.448 1.590 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997432196 703664037 /nfs/dbraw/zinc/66/40/37/703664037.db2.gz WECHTNKPULCSDE-ZBFHGGJFSA-N 2 2 343.899 1.676 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997432196 703664038 /nfs/dbraw/zinc/66/40/38/703664038.db2.gz WECHTNKPULCSDE-ZBFHGGJFSA-N 2 2 343.899 1.676 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945094767 705066476 /nfs/dbraw/zinc/06/64/76/705066476.db2.gz YVTOQDJSZFHZGF-NVXWUHKLSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945094767 705066481 /nfs/dbraw/zinc/06/64/81/705066481.db2.gz YVTOQDJSZFHZGF-NVXWUHKLSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945094767 705066486 /nfs/dbraw/zinc/06/64/86/705066486.db2.gz YVTOQDJSZFHZGF-NVXWUHKLSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC000945094767 705066490 /nfs/dbraw/zinc/06/64/90/705066490.db2.gz YVTOQDJSZFHZGF-NVXWUHKLSA-N 2 2 345.512 1.956 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998321894 705742944 /nfs/dbraw/zinc/74/29/44/705742944.db2.gz QYPLUNJNOYRWCT-OLZOCXBDSA-N 2 2 330.354 1.828 20 30 EDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001032634212 705878494 /nfs/dbraw/zinc/87/84/94/705878494.db2.gz GRMUBCOYLYQZNF-BZSNNMDCSA-N 2 2 326.444 1.684 20 30 EDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001032634212 705878499 /nfs/dbraw/zinc/87/84/99/705878499.db2.gz GRMUBCOYLYQZNF-BZSNNMDCSA-N 2 2 326.444 1.684 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033266025 707291000 /nfs/dbraw/zinc/29/10/00/707291000.db2.gz MIFSSZYCXHGZQK-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033266025 707291002 /nfs/dbraw/zinc/29/10/02/707291002.db2.gz MIFSSZYCXHGZQK-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365510 707660352 /nfs/dbraw/zinc/66/03/52/707660352.db2.gz OHADLIUJGNOYQU-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365510 707660354 /nfs/dbraw/zinc/66/03/54/707660354.db2.gz OHADLIUJGNOYQU-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365510 707660357 /nfs/dbraw/zinc/66/03/57/707660357.db2.gz OHADLIUJGNOYQU-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365510 707660360 /nfs/dbraw/zinc/66/03/60/707660360.db2.gz OHADLIUJGNOYQU-QZTJIDSGSA-N 2 2 335.492 1.739 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001685168 708182527 /nfs/dbraw/zinc/18/25/27/708182527.db2.gz SEMREMNDYDCHPU-LJQANCHMSA-N 2 2 347.503 1.339 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001685168 708182528 /nfs/dbraw/zinc/18/25/28/708182528.db2.gz SEMREMNDYDCHPU-LJQANCHMSA-N 2 2 347.503 1.339 20 30 EDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033837285 708866271 /nfs/dbraw/zinc/86/62/71/708866271.db2.gz MKLGOKCCTYSGRK-FGTMMUONSA-N 2 2 340.471 1.710 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033837285 708866275 /nfs/dbraw/zinc/86/62/75/708866275.db2.gz MKLGOKCCTYSGRK-FGTMMUONSA-N 2 2 340.471 1.710 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001003056237 709906030 /nfs/dbraw/zinc/90/60/30/709906030.db2.gz NRZRPZBOULLPEC-QAPCUYQASA-N 2 2 341.459 1.216 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001003056237 709906032 /nfs/dbraw/zinc/90/60/32/709906032.db2.gz NRZRPZBOULLPEC-QAPCUYQASA-N 2 2 341.459 1.216 20 30 EDEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034547267 710221522 /nfs/dbraw/zinc/22/15/22/710221522.db2.gz OISAXTVYFDUNGP-LJQANCHMSA-N 2 2 336.439 1.906 20 30 EDEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034547267 710221524 /nfs/dbraw/zinc/22/15/24/710221524.db2.gz OISAXTVYFDUNGP-LJQANCHMSA-N 2 2 336.439 1.906 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001033154553 712186927 /nfs/dbraw/zinc/18/69/27/712186927.db2.gz PWEOMOBZOSQUDS-RDJZCZTQSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001033154553 712186930 /nfs/dbraw/zinc/18/69/30/712186930.db2.gz PWEOMOBZOSQUDS-RDJZCZTQSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033154553 712186933 /nfs/dbraw/zinc/18/69/33/712186933.db2.gz PWEOMOBZOSQUDS-RDJZCZTQSA-N 2 2 346.500 1.582 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)s2)C1 ZINC001033154553 712186935 /nfs/dbraw/zinc/18/69/35/712186935.db2.gz PWEOMOBZOSQUDS-RDJZCZTQSA-N 2 2 346.500 1.582 20 30 EDEDLP C[NH+]1CCN(c2ncc(C[N@H+](CCC#N)CC(C)(C)C)cn2)CC1 ZINC000093101214 529778198 /nfs/dbraw/zinc/77/81/98/529778198.db2.gz LQHVZIUROUOBQN-UHFFFAOYSA-N 2 2 330.480 1.990 20 30 EDEDLP C[NH+]1CCN(c2ncc(C[N@@H+](CCC#N)CC(C)(C)C)cn2)CC1 ZINC000093101214 529778199 /nfs/dbraw/zinc/77/81/99/529778199.db2.gz LQHVZIUROUOBQN-UHFFFAOYSA-N 2 2 330.480 1.990 20 30 EDEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328888962 539375380 /nfs/dbraw/zinc/37/53/80/539375380.db2.gz PYRDGMFZSKVIEC-HOTGVXAUSA-N 2 2 325.453 1.043 20 30 EDEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328888962 539375385 /nfs/dbraw/zinc/37/53/85/539375385.db2.gz PYRDGMFZSKVIEC-HOTGVXAUSA-N 2 2 325.453 1.043 20 30 EDEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000561043317 306281810 /nfs/dbraw/zinc/28/18/10/306281810.db2.gz RKVXLYHRRDOHDK-MRXNPFEDSA-N 2 2 326.444 1.543 20 30 EDEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1 ZINC000561043304 306281851 /nfs/dbraw/zinc/28/18/51/306281851.db2.gz RKVXLYHRRDOHDK-INIZCTEOSA-N 2 2 326.444 1.543 20 30 EDEDLP C=C(C)COCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355086380 250105698 /nfs/dbraw/zinc/10/56/98/250105698.db2.gz KMIRCFTZYKFDBJ-MRXNPFEDSA-N 2 2 338.496 1.389 20 30 EDEDLP C=C(C)COCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355086380 250105701 /nfs/dbraw/zinc/10/57/01/250105701.db2.gz KMIRCFTZYKFDBJ-MRXNPFEDSA-N 2 2 338.496 1.389 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000249035223 139183428 /nfs/dbraw/zinc/18/34/28/139183428.db2.gz MMZILAOPSRFSJQ-OLMNPRSZSA-N 2 2 326.444 1.731 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000249035223 139183429 /nfs/dbraw/zinc/18/34/29/139183429.db2.gz MMZILAOPSRFSJQ-OLMNPRSZSA-N 2 2 326.444 1.731 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000490917280 255108620 /nfs/dbraw/zinc/10/86/20/255108620.db2.gz WNEGPTRBADOFII-INIZCTEOSA-N 2 2 329.444 1.513 20 30 EDEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000371824019 156124674 /nfs/dbraw/zinc/12/46/74/156124674.db2.gz UHQWKEHDVQPPAB-XLIONFOSSA-N 2 2 342.487 1.958 20 30 EDEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)C1 ZINC000371824019 156124675 /nfs/dbraw/zinc/12/46/75/156124675.db2.gz UHQWKEHDVQPPAB-XLIONFOSSA-N 2 2 342.487 1.958 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372181136 156259866 /nfs/dbraw/zinc/25/98/66/156259866.db2.gz RGPYEXISLLKCPZ-MRXNPFEDSA-N 2 2 326.444 1.765 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372181136 156259868 /nfs/dbraw/zinc/25/98/68/156259868.db2.gz RGPYEXISLLKCPZ-MRXNPFEDSA-N 2 2 326.444 1.765 20 30 EDEDLP C=C(C)COc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000057969391 441146868 /nfs/dbraw/zinc/14/68/68/441146868.db2.gz XTQIOSVYNRKDMT-UHFFFAOYSA-N 2 2 347.459 1.514 20 30 EDEDLP CN1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000181780615 442715743 /nfs/dbraw/zinc/71/57/43/442715743.db2.gz SUPLJPLECCYFHQ-GOSISDBHSA-N 2 2 326.444 1.733 20 30 EDEDLP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953653 443175142 /nfs/dbraw/zinc/17/51/42/443175142.db2.gz IDOTXVQQYBOAGB-IIAWOOMASA-N 2 2 337.493 1.209 20 30 EDEDLP C[N@H+](CCN(CCC#N)CC[NH+]1CCOCC1)Cc1ccccc1 ZINC000278709309 443408966 /nfs/dbraw/zinc/40/89/66/443408966.db2.gz UGHBXYMUFHVYGX-UHFFFAOYSA-N 2 2 330.476 1.666 20 30 EDEDLP C[N@@H+](CCN(CCC#N)CC[NH+]1CCOCC1)Cc1ccccc1 ZINC000278709309 443408970 /nfs/dbraw/zinc/40/89/70/443408970.db2.gz UGHBXYMUFHVYGX-UHFFFAOYSA-N 2 2 330.476 1.666 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277432677 443986176 /nfs/dbraw/zinc/98/61/76/443986176.db2.gz QCDAVABPXASLIC-GDBMZVCRSA-N 2 2 336.505 1.543 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277432677 443986181 /nfs/dbraw/zinc/98/61/81/443986181.db2.gz QCDAVABPXASLIC-GDBMZVCRSA-N 2 2 336.505 1.543 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752914 444499535 /nfs/dbraw/zinc/49/95/35/444499535.db2.gz KFXDUNMTFHUBCQ-QAPCUYQASA-N 2 2 326.444 1.400 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752914 444499537 /nfs/dbraw/zinc/49/95/37/444499537.db2.gz KFXDUNMTFHUBCQ-QAPCUYQASA-N 2 2 326.444 1.400 20 30 EDEDLP CC(C)[C@H](C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000329902872 444759905 /nfs/dbraw/zinc/75/99/05/444759905.db2.gz HZRFKEJMLKVLKN-HOTGVXAUSA-N 2 2 349.479 1.306 20 30 EDEDLP CC(C)[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000329902872 444759910 /nfs/dbraw/zinc/75/99/10/444759910.db2.gz HZRFKEJMLKVLKN-HOTGVXAUSA-N 2 2 349.479 1.306 20 30 EDEDLP CCN1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960519 444787335 /nfs/dbraw/zinc/78/73/35/444787335.db2.gz NYDHJQZHQHSDNI-MRXNPFEDSA-N 2 2 348.495 1.877 20 30 EDEDLP CCN1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960519 444787339 /nfs/dbraw/zinc/78/73/39/444787339.db2.gz NYDHJQZHQHSDNI-MRXNPFEDSA-N 2 2 348.495 1.877 20 30 EDEDLP Cc1nc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc[nH+]1 ZINC000330238032 444901955 /nfs/dbraw/zinc/90/19/55/444901955.db2.gz ATGNPWZCGVXABJ-CQSZACIVSA-N 2 2 341.419 1.033 20 30 EDEDLP Cc1c[nH+]ccc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000583494938 326083188 /nfs/dbraw/zinc/08/31/88/326083188.db2.gz LANZCCMFOITARA-UHFFFAOYSA-N 2 2 329.425 1.868 20 30 EDEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370816565 446457584 /nfs/dbraw/zinc/45/75/84/446457584.db2.gz ATHMVOILXRPTSU-GOSISDBHSA-N 2 2 326.444 1.799 20 30 EDEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370816565 446457592 /nfs/dbraw/zinc/45/75/92/446457592.db2.gz ATHMVOILXRPTSU-GOSISDBHSA-N 2 2 326.444 1.799 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376476072 446519507 /nfs/dbraw/zinc/51/95/07/446519507.db2.gz DSDGNCMEMJAMPL-CGTJXYLNSA-N 2 2 335.492 1.642 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376476072 446519513 /nfs/dbraw/zinc/51/95/13/446519513.db2.gz DSDGNCMEMJAMPL-CGTJXYLNSA-N 2 2 335.492 1.642 20 30 EDEDLP C=CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCOCC1 ZINC000424766415 446932012 /nfs/dbraw/zinc/93/20/12/446932012.db2.gz PNXNDJREBCTXCP-QGZVFWFLSA-N 2 2 349.519 1.986 20 30 EDEDLP C=CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCOCC1 ZINC000424766415 446932017 /nfs/dbraw/zinc/93/20/17/446932017.db2.gz PNXNDJREBCTXCP-QGZVFWFLSA-N 2 2 349.519 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000491494949 448043633 /nfs/dbraw/zinc/04/36/33/448043633.db2.gz GDFDODUBKIUMER-GASCZTMLSA-N 2 2 345.409 1.817 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000491494949 448043634 /nfs/dbraw/zinc/04/36/34/448043634.db2.gz GDFDODUBKIUMER-GASCZTMLSA-N 2 2 345.409 1.817 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000514668855 448183059 /nfs/dbraw/zinc/18/30/59/448183059.db2.gz QGZDMBQVPHVBAN-KRWDZBQOSA-N 2 2 340.427 1.815 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000578350044 448524851 /nfs/dbraw/zinc/52/48/51/448524851.db2.gz CCSANHDWXZCANL-IAGOWNOFSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2C)c(OC)c1 ZINC000578350044 448524853 /nfs/dbraw/zinc/52/48/53/448524853.db2.gz CCSANHDWXZCANL-IAGOWNOFSA-N 2 2 334.460 1.847 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@](O)(CC#N)C3)c2cc1C ZINC000592146691 448705453 /nfs/dbraw/zinc/70/54/53/448705453.db2.gz JYDPMWFAPTVIDK-YJBOKZPZSA-N 2 2 328.416 1.365 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@](O)(CC#N)C3)c2cc1C ZINC000592146691 448705455 /nfs/dbraw/zinc/70/54/55/448705455.db2.gz JYDPMWFAPTVIDK-YJBOKZPZSA-N 2 2 328.416 1.365 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@](O)(CC#N)C3)c2cc1C ZINC000592146689 448706247 /nfs/dbraw/zinc/70/62/47/448706247.db2.gz JYDPMWFAPTVIDK-MAUKXSAKSA-N 2 2 328.416 1.365 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@](O)(CC#N)C3)c2cc1C ZINC000592146689 448706254 /nfs/dbraw/zinc/70/62/54/448706254.db2.gz JYDPMWFAPTVIDK-MAUKXSAKSA-N 2 2 328.416 1.365 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[N@@H+]1C1CC1 ZINC000567891857 448780943 /nfs/dbraw/zinc/78/09/43/448780943.db2.gz WUYMDURDHUTEAK-UWWQBHOKSA-N 2 2 329.444 1.707 20 30 EDEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C[N@H+]1C1CC1 ZINC000567891857 448780951 /nfs/dbraw/zinc/78/09/51/448780951.db2.gz WUYMDURDHUTEAK-UWWQBHOKSA-N 2 2 329.444 1.707 20 30 EDEDLP CN(C)c1[nH+]ccc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000580829768 448958615 /nfs/dbraw/zinc/95/86/15/448958615.db2.gz XQAQOXBORCDARH-MRXNPFEDSA-N 2 2 327.432 1.919 20 30 EDEDLP CN(C)c1[nH+]ccc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000580829768 448958620 /nfs/dbraw/zinc/95/86/20/448958620.db2.gz XQAQOXBORCDARH-MRXNPFEDSA-N 2 2 327.432 1.919 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906787 449246715 /nfs/dbraw/zinc/24/67/15/449246715.db2.gz NQOVUWJUEVIMHO-KRWDZBQOSA-N 2 2 347.459 1.988 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906787 449246718 /nfs/dbraw/zinc/24/67/18/449246718.db2.gz NQOVUWJUEVIMHO-KRWDZBQOSA-N 2 2 347.459 1.988 20 30 EDEDLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000590905478 449339576 /nfs/dbraw/zinc/33/95/76/449339576.db2.gz PRQUGWWSOZSTRM-OAHLLOKOSA-N 2 2 327.432 1.160 20 30 EDEDLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1C#N ZINC000590905478 449339579 /nfs/dbraw/zinc/33/95/79/449339579.db2.gz PRQUGWWSOZSTRM-OAHLLOKOSA-N 2 2 327.432 1.160 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596514848 449536999 /nfs/dbraw/zinc/53/69/99/449536999.db2.gz NGDPZICVBRUMLT-UHFFFAOYSA-N 2 2 335.496 1.786 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000600724555 449519609 /nfs/dbraw/zinc/51/96/09/449519609.db2.gz AXXAYISZADTFBE-JKSUJKDBSA-N 2 2 326.400 1.662 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594445409 449522818 /nfs/dbraw/zinc/52/28/18/449522818.db2.gz FDOGLXRZQJACBX-QZTJIDSGSA-N 2 2 344.459 1.415 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594445409 449522822 /nfs/dbraw/zinc/52/28/22/449522822.db2.gz FDOGLXRZQJACBX-QZTJIDSGSA-N 2 2 344.459 1.415 20 30 EDEDLP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000598713799 449558749 /nfs/dbraw/zinc/55/87/49/449558749.db2.gz DEYYWVYAYXTRGW-SFHVURJKSA-N 2 2 331.460 1.909 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644548209 451855032 /nfs/dbraw/zinc/85/50/32/451855032.db2.gz UMAQITRUVQDJAC-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644548209 451855034 /nfs/dbraw/zinc/85/50/34/451855034.db2.gz UMAQITRUVQDJAC-IRXDYDNUSA-N 2 2 334.460 1.847 20 30 EDEDLP C=CC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000662676339 453394047 /nfs/dbraw/zinc/39/40/47/453394047.db2.gz VJTRXFDVXNGQSA-HNAYVOBHSA-N 2 2 344.459 1.621 20 30 EDEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCC[NH2+]1 ZINC000662755336 453491952 /nfs/dbraw/zinc/49/19/52/453491952.db2.gz FBVJYONOZRVYHU-VQIMIIECSA-N 2 2 328.460 1.985 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000657293743 453759448 /nfs/dbraw/zinc/75/94/48/453759448.db2.gz VEDLQIHYDQZXPE-UHFFFAOYSA-N 2 2 341.459 1.976 20 30 EDEDLP C=CCCn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1 ZINC000657398378 453781496 /nfs/dbraw/zinc/78/14/96/453781496.db2.gz ADPGWQJEGQZCCA-QZTJIDSGSA-N 2 2 333.480 1.712 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000748817401 579701659 /nfs/dbraw/zinc/70/16/59/579701659.db2.gz NMFVKSRTTPRFGZ-UHFFFAOYSA-N 2 2 333.863 1.592 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000748817401 579701660 /nfs/dbraw/zinc/70/16/60/579701660.db2.gz NMFVKSRTTPRFGZ-UHFFFAOYSA-N 2 2 333.863 1.592 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000748817242 579701729 /nfs/dbraw/zinc/70/17/29/579701729.db2.gz YWCZIEBADDEYCW-UHFFFAOYSA-N 2 2 347.434 1.304 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000748817242 579701734 /nfs/dbraw/zinc/70/17/34/579701734.db2.gz YWCZIEBADDEYCW-UHFFFAOYSA-N 2 2 347.434 1.304 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC000759308718 580003124 /nfs/dbraw/zinc/00/31/24/580003124.db2.gz HVKVQNZLTIDQDQ-UHFFFAOYSA-N 2 2 325.456 1.557 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC000759308718 580003125 /nfs/dbraw/zinc/00/31/25/580003125.db2.gz HVKVQNZLTIDQDQ-UHFFFAOYSA-N 2 2 325.456 1.557 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112785 /nfs/dbraw/zinc/11/27/85/580112785.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112786 /nfs/dbraw/zinc/11/27/86/580112786.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112787 /nfs/dbraw/zinc/11/27/87/580112787.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112788 /nfs/dbraw/zinc/11/27/88/580112788.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 2 2 347.409 1.924 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000764493312 580121791 /nfs/dbraw/zinc/12/17/91/580121791.db2.gz GDRSXMOGVXUTNI-SFHVURJKSA-N 2 2 345.487 1.854 20 30 EDEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443679 580953998 /nfs/dbraw/zinc/95/39/98/580953998.db2.gz KZLAPSBSEPAWKV-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796443679 580953999 /nfs/dbraw/zinc/95/39/99/580953999.db2.gz KZLAPSBSEPAWKV-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796443679 580954000 /nfs/dbraw/zinc/95/40/00/580954000.db2.gz KZLAPSBSEPAWKV-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP N#CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796443679 580954001 /nfs/dbraw/zinc/95/40/01/580954001.db2.gz KZLAPSBSEPAWKV-LJQANCHMSA-N 2 2 326.444 1.614 20 30 EDEDLP C#CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000830315995 594373871 /nfs/dbraw/zinc/37/38/71/594373871.db2.gz AHOBSFMPEUIQLJ-UHFFFAOYSA-N 2 2 325.456 1.676 20 30 EDEDLP C#CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000851740903 595903249 /nfs/dbraw/zinc/90/32/49/595903249.db2.gz BCYHRHFIQDKRSI-IBGZPJMESA-N 2 2 342.487 1.565 20 30 EDEDLP C#CCOCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000851740903 595903252 /nfs/dbraw/zinc/90/32/52/595903252.db2.gz BCYHRHFIQDKRSI-IBGZPJMESA-N 2 2 342.487 1.565 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000859281609 596030507 /nfs/dbraw/zinc/03/05/07/596030507.db2.gz UAIBWULRNZXQBU-SJORKVTESA-N 2 2 340.427 1.911 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000859281609 596030510 /nfs/dbraw/zinc/03/05/10/596030510.db2.gz UAIBWULRNZXQBU-SJORKVTESA-N 2 2 340.427 1.911 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000865658063 596640672 /nfs/dbraw/zinc/64/06/72/596640672.db2.gz GNZXAXUYMSCFNP-KRWDZBQOSA-N 2 2 330.476 1.971 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000865658063 596640675 /nfs/dbraw/zinc/64/06/75/596640675.db2.gz GNZXAXUYMSCFNP-KRWDZBQOSA-N 2 2 330.476 1.971 20 30 EDEDLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883892554 597932625 /nfs/dbraw/zinc/93/26/25/597932625.db2.gz QQDSUXTYLHRXBC-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883892554 597932628 /nfs/dbraw/zinc/93/26/28/597932628.db2.gz QQDSUXTYLHRXBC-GOSISDBHSA-N 2 2 341.459 1.480 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993817024 696389109 /nfs/dbraw/zinc/38/91/09/696389109.db2.gz BQRSJILDRQJBAO-WBVHZDCISA-N 2 2 344.459 1.876 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993817024 696389112 /nfs/dbraw/zinc/38/91/12/696389112.db2.gz BQRSJILDRQJBAO-WBVHZDCISA-N 2 2 344.459 1.876 20 30 EDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994504018 696941652 /nfs/dbraw/zinc/94/16/52/696941652.db2.gz GADJVIPZGJOCMV-QAPCUYQASA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994504018 696941654 /nfs/dbraw/zinc/94/16/54/696941654.db2.gz GADJVIPZGJOCMV-QAPCUYQASA-N 2 2 337.427 1.924 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105770 700942988 /nfs/dbraw/zinc/94/29/88/700942988.db2.gz HZPMSEFADHMORT-RHSMWYFYSA-N 2 2 337.427 1.899 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995111646 701005225 /nfs/dbraw/zinc/00/52/25/701005225.db2.gz BPQOAQVIRKZBBJ-IAGOWNOFSA-N 2 2 337.427 1.899 20 30 EDEDLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032132463 701867725 /nfs/dbraw/zinc/86/77/25/701867725.db2.gz YXWXPILYIGDMPE-UHFFFAOYSA-N 2 2 348.450 1.861 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncs3)C2)CC1 ZINC001032207206 702116726 /nfs/dbraw/zinc/11/67/26/702116726.db2.gz HKCWLHHPZSIWRQ-UHFFFAOYSA-N 2 2 332.473 1.036 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123810 702297749 /nfs/dbraw/zinc/29/77/49/702297749.db2.gz WLMXMBMMHIQCOT-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944123810 702297751 /nfs/dbraw/zinc/29/77/51/702297751.db2.gz WLMXMBMMHIQCOT-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1F ZINC000997043191 703291195 /nfs/dbraw/zinc/29/11/95/703291195.db2.gz VNCGVXUHUSRLDY-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cscn2)C1 ZINC000998928426 706356527 /nfs/dbraw/zinc/35/65/27/706356527.db2.gz LMPWTXGKOVTLBA-BCLQGDPASA-N 2 2 332.473 1.320 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cscn2)C1 ZINC000998928426 706356529 /nfs/dbraw/zinc/35/65/29/706356529.db2.gz LMPWTXGKOVTLBA-BCLQGDPASA-N 2 2 332.473 1.320 20 30 EDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946697683 707155043 /nfs/dbraw/zinc/15/50/43/707155043.db2.gz XBJCSDALFXHICH-OTWHNJEPSA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)CC[C@@H]2C1 ZINC000946697683 707155044 /nfs/dbraw/zinc/15/50/44/707155044.db2.gz XBJCSDALFXHICH-OTWHNJEPSA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697683 707155045 /nfs/dbraw/zinc/15/50/45/707155045.db2.gz XBJCSDALFXHICH-OTWHNJEPSA-N 2 2 347.503 1.291 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3CCCC)CC[C@@H]2C1 ZINC000946697683 707155046 /nfs/dbraw/zinc/15/50/46/707155046.db2.gz XBJCSDALFXHICH-OTWHNJEPSA-N 2 2 347.503 1.291 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297039 707409458 /nfs/dbraw/zinc/40/94/58/707409458.db2.gz FNGMSONPTXWJEU-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297039 707409460 /nfs/dbraw/zinc/40/94/60/707409460.db2.gz FNGMSONPTXWJEU-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297039 707409463 /nfs/dbraw/zinc/40/94/63/707409463.db2.gz FNGMSONPTXWJEU-ZWKOTPCHSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297366 707412815 /nfs/dbraw/zinc/41/28/15/707412815.db2.gz MEKYOEOGKLZBII-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297366 707412817 /nfs/dbraw/zinc/41/28/17/707412817.db2.gz MEKYOEOGKLZBII-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297366 707412819 /nfs/dbraw/zinc/41/28/19/707412819.db2.gz MEKYOEOGKLZBII-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297366 707412821 /nfs/dbraw/zinc/41/28/21/707412821.db2.gz MEKYOEOGKLZBII-QZTJIDSGSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001002837457 709453433 /nfs/dbraw/zinc/45/34/33/709453433.db2.gz FYRQRCDYQHGGAR-UHFFFAOYSA-N 2 2 339.871 1.391 20 30 EDEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213047 709564458 /nfs/dbraw/zinc/56/44/58/709564458.db2.gz ONNVSKHUPWTEOT-KZNAEPCWSA-N 2 2 340.471 1.758 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213047 709564461 /nfs/dbraw/zinc/56/44/61/709564461.db2.gz ONNVSKHUPWTEOT-KZNAEPCWSA-N 2 2 340.471 1.758 20 30 EDEDLP C=CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217833 709574145 /nfs/dbraw/zinc/57/41/45/709574145.db2.gz VZEFVLVOGPSONM-RHSMWYFYSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217833 709574147 /nfs/dbraw/zinc/57/41/47/709574147.db2.gz VZEFVLVOGPSONM-RHSMWYFYSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217833 709574149 /nfs/dbraw/zinc/57/41/49/709574149.db2.gz VZEFVLVOGPSONM-RHSMWYFYSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217833 709574151 /nfs/dbraw/zinc/57/41/51/709574151.db2.gz VZEFVLVOGPSONM-RHSMWYFYSA-N 2 2 331.464 1.947 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034547317 710221472 /nfs/dbraw/zinc/22/14/72/710221472.db2.gz PEQMXMSIDAZRHX-CQSZACIVSA-N 2 2 343.456 1.987 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034547317 710221474 /nfs/dbraw/zinc/22/14/74/710221474.db2.gz PEQMXMSIDAZRHX-CQSZACIVSA-N 2 2 343.456 1.987 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000329049380 539400700 /nfs/dbraw/zinc/40/07/00/539400700.db2.gz KJRXQKNTGKUQER-NVXWUHKLSA-N 2 2 331.464 1.596 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000329049380 539400702 /nfs/dbraw/zinc/40/07/02/539400702.db2.gz KJRXQKNTGKUQER-NVXWUHKLSA-N 2 2 331.464 1.596 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329121089 539411435 /nfs/dbraw/zinc/41/14/35/539411435.db2.gz QICKIUWGRHWBAH-MRXNPFEDSA-N 2 2 340.512 1.721 20 30 EDEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329121089 539411440 /nfs/dbraw/zinc/41/14/40/539411440.db2.gz QICKIUWGRHWBAH-MRXNPFEDSA-N 2 2 340.512 1.721 20 30 EDEDLP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)([NH+](C)C)C1 ZINC000329444518 539437621 /nfs/dbraw/zinc/43/76/21/539437621.db2.gz LPGSWXAXPYZKMP-NUJGCVRESA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)([NH+](C)C)C1 ZINC000329444518 539437628 /nfs/dbraw/zinc/43/76/28/539437628.db2.gz LPGSWXAXPYZKMP-NUJGCVRESA-N 2 2 339.528 1.246 20 30 EDEDLP COCC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181759902 234312917 /nfs/dbraw/zinc/31/29/17/234312917.db2.gz BODXJTFPRLQEOZ-LJQANCHMSA-N 2 2 331.460 1.900 20 30 EDEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362688446 250183224 /nfs/dbraw/zinc/18/32/24/250183224.db2.gz ZOKVYYLFUCYELP-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362688446 250183227 /nfs/dbraw/zinc/18/32/27/250183227.db2.gz ZOKVYYLFUCYELP-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP COc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2[nH+]ccn2C)cc1 ZINC000424133445 252136173 /nfs/dbraw/zinc/13/61/73/252136173.db2.gz JITBGDNHBRWLOS-HOTGVXAUSA-N 2 2 341.415 1.655 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2SC)CC1 ZINC000491040173 255115293 /nfs/dbraw/zinc/11/52/93/255115293.db2.gz SLXRLWDMPPVAKX-UHFFFAOYSA-N 2 2 331.485 1.618 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2SC)CC1 ZINC000491040173 255115294 /nfs/dbraw/zinc/11/52/94/255115294.db2.gz SLXRLWDMPPVAKX-UHFFFAOYSA-N 2 2 331.485 1.618 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+](CCCO)C3)CC2)cc1 ZINC000295113542 268108203 /nfs/dbraw/zinc/10/82/03/268108203.db2.gz LZBFHJWYSQEKRK-LJQANCHMSA-N 2 2 342.487 1.963 20 30 EDEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+](CCCO)C3)CC2)cc1 ZINC000295113542 268108206 /nfs/dbraw/zinc/10/82/06/268108206.db2.gz LZBFHJWYSQEKRK-LJQANCHMSA-N 2 2 342.487 1.963 20 30 EDEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068100 306019407 /nfs/dbraw/zinc/01/94/07/306019407.db2.gz QDIBDJRCQHNRSU-CYBMUJFWSA-N 2 2 327.388 1.930 20 30 EDEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000536068100 306019408 /nfs/dbraw/zinc/01/94/08/306019408.db2.gz QDIBDJRCQHNRSU-CYBMUJFWSA-N 2 2 327.388 1.930 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378322901 447416970 /nfs/dbraw/zinc/41/69/70/447416970.db2.gz YAEKJMVTYLQUNJ-QZTJIDSGSA-N 2 2 336.524 1.369 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378322901 447416973 /nfs/dbraw/zinc/41/69/73/447416973.db2.gz YAEKJMVTYLQUNJ-QZTJIDSGSA-N 2 2 336.524 1.369 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000067210180 441617265 /nfs/dbraw/zinc/61/72/65/441617265.db2.gz AUHKSPQTZQIVOK-UHFFFAOYSA-N 2 2 341.455 1.803 20 30 EDEDLP CN1CC[C@H](O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000116267680 441806547 /nfs/dbraw/zinc/80/65/47/441806547.db2.gz CUKGXKXMDSPGDD-INIZCTEOSA-N 2 2 330.432 1.540 20 30 EDEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264056204 443247764 /nfs/dbraw/zinc/24/77/64/443247764.db2.gz AXLBXDREQOTHLS-WMZOPIPTSA-N 3 2 347.507 1.687 20 30 EDEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264056204 443247770 /nfs/dbraw/zinc/24/77/70/443247770.db2.gz AXLBXDREQOTHLS-WMZOPIPTSA-N 3 2 347.507 1.687 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264129761 443252183 /nfs/dbraw/zinc/25/21/83/443252183.db2.gz XNRWQGXSIMOYAR-CVEARBPZSA-N 2 2 333.480 1.136 20 30 EDEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919247 443517689 /nfs/dbraw/zinc/51/76/89/443517689.db2.gz ZQCLUKAIXKNPAM-YOEHRIQHSA-N 2 2 330.432 1.579 20 30 EDEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919247 443517695 /nfs/dbraw/zinc/51/76/95/443517695.db2.gz ZQCLUKAIXKNPAM-YOEHRIQHSA-N 2 2 330.432 1.579 20 30 EDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000276568594 443749388 /nfs/dbraw/zinc/74/93/88/443749388.db2.gz BMUDXSLHXVKPCP-AZUAARDMSA-N 2 2 338.455 1.869 20 30 EDEDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000276568594 443749391 /nfs/dbraw/zinc/74/93/91/443749391.db2.gz BMUDXSLHXVKPCP-AZUAARDMSA-N 2 2 338.455 1.869 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288790799 443983412 /nfs/dbraw/zinc/98/34/12/443983412.db2.gz XUNGVJKLCSJQGY-UHFFFAOYSA-N 3 2 325.407 1.717 20 30 EDEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289297049 444099935 /nfs/dbraw/zinc/09/99/35/444099935.db2.gz HTNOHUXMTIRHEH-OAHLLOKOSA-N 2 2 330.432 1.437 20 30 EDEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289297049 444099937 /nfs/dbraw/zinc/09/99/37/444099937.db2.gz HTNOHUXMTIRHEH-OAHLLOKOSA-N 2 2 330.432 1.437 20 30 EDEDLP CN(CCC[N@H+](C)CC(=O)Nc1sccc1C#N)CC[NH+](C)C ZINC000289510251 444161729 /nfs/dbraw/zinc/16/17/29/444161729.db2.gz VCEAZOQMSPNBOT-UHFFFAOYSA-N 2 2 337.493 1.374 20 30 EDEDLP CN(CCC[N@@H+](C)CC(=O)Nc1sccc1C#N)CC[NH+](C)C ZINC000289510251 444161733 /nfs/dbraw/zinc/16/17/33/444161733.db2.gz VCEAZOQMSPNBOT-UHFFFAOYSA-N 2 2 337.493 1.374 20 30 EDEDLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331250240 444458084 /nfs/dbraw/zinc/45/80/84/444458084.db2.gz SBEFABILFBXEMK-QEJZJMRPSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331250240 444458087 /nfs/dbraw/zinc/45/80/87/444458087.db2.gz SBEFABILFBXEMK-QEJZJMRPSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000331250240 444458089 /nfs/dbraw/zinc/45/80/89/444458089.db2.gz SBEFABILFBXEMK-QEJZJMRPSA-N 2 2 333.436 1.055 20 30 EDEDLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000331250240 444458090 /nfs/dbraw/zinc/45/80/90/444458090.db2.gz SBEFABILFBXEMK-QEJZJMRPSA-N 2 2 333.436 1.055 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000329957853 444786370 /nfs/dbraw/zinc/78/63/70/444786370.db2.gz MDAXIDGDFRFLQO-HOCLYGCPSA-N 2 2 346.479 1.107 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329957853 444786376 /nfs/dbraw/zinc/78/63/76/444786376.db2.gz MDAXIDGDFRFLQO-HOCLYGCPSA-N 2 2 346.479 1.107 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1=O ZINC000337125767 444952518 /nfs/dbraw/zinc/95/25/18/444952518.db2.gz FKHGYRBHUGSABN-FGTMMUONSA-N 2 2 334.508 1.264 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1=O ZINC000337125767 444952523 /nfs/dbraw/zinc/95/25/23/444952523.db2.gz FKHGYRBHUGSABN-FGTMMUONSA-N 2 2 334.508 1.264 20 30 EDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000342122653 445185155 /nfs/dbraw/zinc/18/51/55/445185155.db2.gz GUGAQQTUVSFMOE-OBMJPTGESA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000342122653 445185159 /nfs/dbraw/zinc/18/51/59/445185159.db2.gz GUGAQQTUVSFMOE-OBMJPTGESA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000342122653 445185161 /nfs/dbraw/zinc/18/51/61/445185161.db2.gz GUGAQQTUVSFMOE-OBMJPTGESA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000342122653 445185164 /nfs/dbraw/zinc/18/51/64/445185164.db2.gz GUGAQQTUVSFMOE-OBMJPTGESA-N 2 2 332.488 1.988 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357623765 445571787 /nfs/dbraw/zinc/57/17/87/445571787.db2.gz BWNCEHNRHVDTRR-HOTGVXAUSA-N 2 2 325.497 1.577 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357623765 445571789 /nfs/dbraw/zinc/57/17/89/445571789.db2.gz BWNCEHNRHVDTRR-HOTGVXAUSA-N 2 2 325.497 1.577 20 30 EDEDLP C#Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](CC)CCO3)CC2)cc1 ZINC000377542787 447193585 /nfs/dbraw/zinc/19/35/85/447193585.db2.gz PGAKSRCPQLROEZ-HXUWFJFHSA-N 2 2 327.472 1.506 20 30 EDEDLP C#Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](CC)CCO3)CC2)cc1 ZINC000377542787 447193588 /nfs/dbraw/zinc/19/35/88/447193588.db2.gz PGAKSRCPQLROEZ-HXUWFJFHSA-N 2 2 327.472 1.506 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490915784 447909080 /nfs/dbraw/zinc/90/90/80/447909080.db2.gz PPQMUGVZPKPTMQ-CQSZACIVSA-N 2 2 330.388 1.023 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000491454333 448033017 /nfs/dbraw/zinc/03/30/17/448033017.db2.gz YAOWXDMWRCVJII-GOSISDBHSA-N 2 2 329.444 1.007 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000491454333 448033020 /nfs/dbraw/zinc/03/30/20/448033020.db2.gz YAOWXDMWRCVJII-GOSISDBHSA-N 2 2 329.444 1.007 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000566157494 448397953 /nfs/dbraw/zinc/39/79/53/448397953.db2.gz USBDVBJRWYWZLH-UHFFFAOYSA-N 2 2 343.475 1.578 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000578350046 448525191 /nfs/dbraw/zinc/52/51/91/448525191.db2.gz CCSANHDWXZCANL-SJORKVTESA-N 2 2 334.460 1.847 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2C)c(OC)c1 ZINC000578350046 448525196 /nfs/dbraw/zinc/52/51/96/448525196.db2.gz CCSANHDWXZCANL-SJORKVTESA-N 2 2 334.460 1.847 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000579111146 448717439 /nfs/dbraw/zinc/71/74/39/448717439.db2.gz URULQHNJVCNTQO-NEWSRXKRSA-N 2 2 329.444 1.709 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000579111146 448717444 /nfs/dbraw/zinc/71/74/44/448717444.db2.gz URULQHNJVCNTQO-NEWSRXKRSA-N 2 2 329.444 1.709 20 30 EDEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855009 448897665 /nfs/dbraw/zinc/89/76/65/448897665.db2.gz RLSXIBKOXYVMKJ-QAPCUYQASA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855009 448897670 /nfs/dbraw/zinc/89/76/70/448897670.db2.gz RLSXIBKOXYVMKJ-QAPCUYQASA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855009 448897678 /nfs/dbraw/zinc/89/76/78/448897678.db2.gz RLSXIBKOXYVMKJ-QAPCUYQASA-N 2 2 344.463 1.524 20 30 EDEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000579855009 448897679 /nfs/dbraw/zinc/89/76/79/448897679.db2.gz RLSXIBKOXYVMKJ-QAPCUYQASA-N 2 2 344.463 1.524 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(C#N)CCCC3)CC2)CC1 ZINC000593332357 449229539 /nfs/dbraw/zinc/22/95/39/449229539.db2.gz LVAZCUBMBKIAHT-UHFFFAOYSA-N 2 2 347.507 1.928 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC000611619724 449361640 /nfs/dbraw/zinc/36/16/40/449361640.db2.gz FTMLNJJBFBKGMD-INIZCTEOSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(CC#N)CC3)C2)CC1 ZINC000611619724 449361643 /nfs/dbraw/zinc/36/16/43/449361643.db2.gz FTMLNJJBFBKGMD-INIZCTEOSA-N 2 2 333.480 1.490 20 30 EDEDLP C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000598589531 449480253 /nfs/dbraw/zinc/48/02/53/449480253.db2.gz STSCWOQLNMSEIF-QGZVFWFLSA-N 2 2 333.480 1.580 20 30 EDEDLP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000598589531 449480258 /nfs/dbraw/zinc/48/02/58/449480258.db2.gz STSCWOQLNMSEIF-QGZVFWFLSA-N 2 2 333.480 1.580 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000594435919 449514280 /nfs/dbraw/zinc/51/42/80/449514280.db2.gz BAOJZENDDDRUCW-QGZVFWFLSA-N 2 2 330.432 1.448 20 30 EDEDLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCSC1 ZINC000600725413 449519439 /nfs/dbraw/zinc/51/94/39/449519439.db2.gz BRQLPXHPTQUCSE-ZBFHGGJFSA-N 2 2 327.494 1.085 20 30 EDEDLP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000602333847 449521962 /nfs/dbraw/zinc/52/19/62/449521962.db2.gz QFENEUYTYLYEPC-IBGZPJMESA-N 2 2 346.475 1.981 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@](C)(C#N)C3)CC2)CC1 ZINC000612120938 449571160 /nfs/dbraw/zinc/57/11/60/449571160.db2.gz ZGXYJHSZAPXBDF-LJQANCHMSA-N 2 2 347.507 1.880 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664016348 452719051 /nfs/dbraw/zinc/71/90/51/452719051.db2.gz OBZDNPXWBAZEMP-CVEARBPZSA-N 2 2 338.496 1.435 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664016348 452719055 /nfs/dbraw/zinc/71/90/55/452719055.db2.gz OBZDNPXWBAZEMP-CVEARBPZSA-N 2 2 338.496 1.435 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663288 453377641 /nfs/dbraw/zinc/37/76/41/453377641.db2.gz ZCHXVFAWUFYLDQ-AZUAARDMSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663288 453377647 /nfs/dbraw/zinc/37/76/47/453377647.db2.gz ZCHXVFAWUFYLDQ-AZUAARDMSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000662694911 453417220 /nfs/dbraw/zinc/41/72/20/453417220.db2.gz DGEYBTFQJPXRSQ-IRXDYDNUSA-N 2 2 339.505 1.009 20 30 EDEDLP COCC#CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720282 486729708 /nfs/dbraw/zinc/72/97/08/486729708.db2.gz OZEICICWCMIYHJ-HXUWFJFHSA-N 2 2 327.472 1.528 20 30 EDEDLP COCC#CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720282 486729716 /nfs/dbraw/zinc/72/97/16/486729716.db2.gz OZEICICWCMIYHJ-HXUWFJFHSA-N 2 2 327.472 1.528 20 30 EDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N(C)C[C@H]1CCOC1 ZINC000261603959 486018530 /nfs/dbraw/zinc/01/85/30/486018530.db2.gz CVXZVDFAZSACDD-OAHLLOKOSA-N 2 2 329.448 1.888 20 30 EDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000731153035 578669138 /nfs/dbraw/zinc/66/91/38/578669138.db2.gz WIFLXAJIRMLPSX-OAHLLOKOSA-N 2 2 333.399 1.772 20 30 EDEDLP C(=[NH+]NC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(N2CCOCC2)cc1 ZINC000753941279 579891769 /nfs/dbraw/zinc/89/17/69/579891769.db2.gz YNIXQECIJXTKOH-IRXDYDNUSA-N 2 2 327.432 1.717 20 30 EDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778954428 580476594 /nfs/dbraw/zinc/47/65/94/580476594.db2.gz WPZRYDALOVOXAA-SFHVURJKSA-N 2 2 344.459 1.342 20 30 EDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778954428 580476595 /nfs/dbraw/zinc/47/65/95/580476595.db2.gz WPZRYDALOVOXAA-SFHVURJKSA-N 2 2 344.459 1.342 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000786124590 580662190 /nfs/dbraw/zinc/66/21/90/580662190.db2.gz HEMKKHOSKRTNEN-ICSRJNTNSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000786124590 580662191 /nfs/dbraw/zinc/66/21/91/580662191.db2.gz HEMKKHOSKRTNEN-ICSRJNTNSA-N 2 2 339.483 1.950 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000905455499 592540441 /nfs/dbraw/zinc/54/04/41/592540441.db2.gz YQEILIGKFPLOOO-ZWKOTPCHSA-N 2 2 327.432 1.420 20 30 EDEDLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000905533496 592554095 /nfs/dbraw/zinc/55/40/95/592554095.db2.gz QJRRPSCXPJTNJM-HNNXBMFYSA-N 2 2 346.456 1.606 20 30 EDEDLP C#CC[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000888405681 593051813 /nfs/dbraw/zinc/05/18/13/593051813.db2.gz VHULBKKYNCQWOF-GOSISDBHSA-N 2 2 346.519 1.992 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888426076 593057402 /nfs/dbraw/zinc/05/74/02/593057402.db2.gz JSDANGQFFJKKFJ-UHFFFAOYSA-N 2 2 344.872 1.673 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888426076 593057404 /nfs/dbraw/zinc/05/74/04/593057404.db2.gz JSDANGQFFJKKFJ-UHFFFAOYSA-N 2 2 344.872 1.673 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000819408824 593753572 /nfs/dbraw/zinc/75/35/72/593753572.db2.gz SMPRRIHQNWMAEV-GOSISDBHSA-N 2 2 332.448 1.266 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000819408824 593753573 /nfs/dbraw/zinc/75/35/73/593753573.db2.gz SMPRRIHQNWMAEV-GOSISDBHSA-N 2 2 332.448 1.266 20 30 EDEDLP C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798873 594266903 /nfs/dbraw/zinc/26/69/03/594266903.db2.gz GVPZLFVJMABCJX-QZTJIDSGSA-N 2 2 340.471 1.854 20 30 EDEDLP C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798873 594266904 /nfs/dbraw/zinc/26/69/04/594266904.db2.gz GVPZLFVJMABCJX-QZTJIDSGSA-N 2 2 340.471 1.854 20 30 EDEDLP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847022954 595352318 /nfs/dbraw/zinc/35/23/18/595352318.db2.gz KDWSYKPQZIILSQ-SFHVURJKSA-N 2 2 325.456 1.676 20 30 EDEDLP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000847022954 595352320 /nfs/dbraw/zinc/35/23/20/595352320.db2.gz KDWSYKPQZIILSQ-SFHVURJKSA-N 2 2 325.456 1.676 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000852854631 595576979 /nfs/dbraw/zinc/57/69/79/595576979.db2.gz LMFYQNJRQXBFDY-UHFFFAOYSA-N 2 2 345.874 1.987 20 30 EDEDLP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000865532330 596602343 /nfs/dbraw/zinc/60/23/43/596602343.db2.gz YVNUSVBNRSEVKT-VQTJNVASSA-N 2 2 344.455 1.668 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000865632370 596633291 /nfs/dbraw/zinc/63/32/91/596633291.db2.gz OKDPEDKYXHHZMJ-SFHVURJKSA-N 2 2 328.460 1.967 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC#N)n1 ZINC000881150458 598087907 /nfs/dbraw/zinc/08/79/07/598087907.db2.gz CGXQHPNVSZHYQB-UHFFFAOYSA-N 2 2 344.463 1.637 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC#N)n1 ZINC000881150458 598087909 /nfs/dbraw/zinc/08/79/09/598087909.db2.gz CGXQHPNVSZHYQB-UHFFFAOYSA-N 2 2 344.463 1.637 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC000992732431 695247672 /nfs/dbraw/zinc/24/76/72/695247672.db2.gz WEJDIUNUKCIKPK-BRWVUGGUSA-N 2 2 328.460 1.777 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993329678 695983778 /nfs/dbraw/zinc/98/37/78/695983778.db2.gz BZZRUWUQUIDAOG-RDJZCZTQSA-N 2 2 328.460 1.754 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993329678 695983780 /nfs/dbraw/zinc/98/37/80/695983780.db2.gz BZZRUWUQUIDAOG-RDJZCZTQSA-N 2 2 328.460 1.754 20 30 EDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727151 697877852 /nfs/dbraw/zinc/87/78/52/697877852.db2.gz ADGAOELSDAYPSA-MRXNPFEDSA-N 2 2 341.883 1.430 20 30 EDEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727151 697877855 /nfs/dbraw/zinc/87/78/55/697877855.db2.gz ADGAOELSDAYPSA-MRXNPFEDSA-N 2 2 341.883 1.430 20 30 EDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941588039 701591308 /nfs/dbraw/zinc/59/13/08/701591308.db2.gz ZXXQJJBWHUNTIZ-KRWDZBQOSA-N 2 2 345.491 1.629 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996462329 702789960 /nfs/dbraw/zinc/78/99/60/702789960.db2.gz SWEFJHKXKSIJDI-MRXNPFEDSA-N 2 2 337.427 1.851 20 30 EDEDLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001032460632 703641851 /nfs/dbraw/zinc/64/18/51/703641851.db2.gz VRCWNQQPGUOTSZ-FHWLQOOXSA-N 2 2 340.471 1.930 20 30 EDEDLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)[NH+](C)C ZINC001032460632 703641852 /nfs/dbraw/zinc/64/18/52/703641852.db2.gz VRCWNQQPGUOTSZ-FHWLQOOXSA-N 2 2 340.471 1.930 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051022 705252865 /nfs/dbraw/zinc/25/28/65/705252865.db2.gz KPBHKQQRPMWZFY-SJORKVTESA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051022 705252868 /nfs/dbraw/zinc/25/28/68/705252868.db2.gz KPBHKQQRPMWZFY-SJORKVTESA-N 2 2 328.460 1.782 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358851 707683503 /nfs/dbraw/zinc/68/35/03/707683503.db2.gz QRJOSJIPMSXLSS-GJZGRUSLSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358851 707683507 /nfs/dbraw/zinc/68/35/07/707683507.db2.gz QRJOSJIPMSXLSS-GJZGRUSLSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358851 707683510 /nfs/dbraw/zinc/68/35/10/707683510.db2.gz QRJOSJIPMSXLSS-GJZGRUSLSA-N 2 2 329.872 1.381 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358851 707683513 /nfs/dbraw/zinc/68/35/13/707683513.db2.gz QRJOSJIPMSXLSS-GJZGRUSLSA-N 2 2 329.872 1.381 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033665922 708449550 /nfs/dbraw/zinc/44/95/50/708449550.db2.gz RZJYOQACOPGQGY-GOSISDBHSA-N 2 2 337.427 1.796 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033665922 708449552 /nfs/dbraw/zinc/44/95/52/708449552.db2.gz RZJYOQACOPGQGY-GOSISDBHSA-N 2 2 337.427 1.796 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932926 709112737 /nfs/dbraw/zinc/11/27/37/709112737.db2.gz UNYOGGOVJGCPQF-JKSUJKDBSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932926 709112738 /nfs/dbraw/zinc/11/27/38/709112738.db2.gz UNYOGGOVJGCPQF-JKSUJKDBSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932926 709112739 /nfs/dbraw/zinc/11/27/39/709112739.db2.gz UNYOGGOVJGCPQF-JKSUJKDBSA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932926 709112740 /nfs/dbraw/zinc/11/27/40/709112740.db2.gz UNYOGGOVJGCPQF-JKSUJKDBSA-N 2 2 343.899 1.771 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001032827195 709291456 /nfs/dbraw/zinc/29/14/56/709291456.db2.gz VFOCSRFNLKNBHS-BZSNNMDCSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001032827195 709291460 /nfs/dbraw/zinc/29/14/60/709291460.db2.gz VFOCSRFNLKNBHS-BZSNNMDCSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC001032827195 709291463 /nfs/dbraw/zinc/29/14/63/709291463.db2.gz VFOCSRFNLKNBHS-BZSNNMDCSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC001032827195 709291466 /nfs/dbraw/zinc/29/14/66/709291466.db2.gz VFOCSRFNLKNBHS-BZSNNMDCSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001032827194 709291548 /nfs/dbraw/zinc/29/15/48/709291548.db2.gz UYLAWNGWGLWRSQ-PMPSAXMXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001032827194 709291550 /nfs/dbraw/zinc/29/15/50/709291550.db2.gz UYLAWNGWGLWRSQ-PMPSAXMXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001032827194 709291551 /nfs/dbraw/zinc/29/15/51/709291551.db2.gz UYLAWNGWGLWRSQ-PMPSAXMXSA-N 2 2 339.430 1.710 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001032827194 709291553 /nfs/dbraw/zinc/29/15/53/709291553.db2.gz UYLAWNGWGLWRSQ-PMPSAXMXSA-N 2 2 339.430 1.710 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003631650 710460739 /nfs/dbraw/zinc/46/07/39/710460739.db2.gz UNLBYRFAUFSFKQ-BXUZGUMPSA-N 2 2 344.297 1.673 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003631650 710460740 /nfs/dbraw/zinc/46/07/40/710460740.db2.gz UNLBYRFAUFSFKQ-BXUZGUMPSA-N 2 2 344.297 1.673 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645066 712153648 /nfs/dbraw/zinc/15/36/48/712153648.db2.gz ONYQYMMWDIVMIX-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645066 712153650 /nfs/dbraw/zinc/15/36/50/712153650.db2.gz ONYQYMMWDIVMIX-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860378 216321373 /nfs/dbraw/zinc/32/13/73/216321373.db2.gz ZLBHIEOEENCBGP-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860378 216321376 /nfs/dbraw/zinc/32/13/76/216321376.db2.gz ZLBHIEOEENCBGP-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860378 216321378 /nfs/dbraw/zinc/32/13/78/216321378.db2.gz ZLBHIEOEENCBGP-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860378 216321382 /nfs/dbraw/zinc/32/13/82/216321382.db2.gz ZLBHIEOEENCBGP-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000264075137 249331039 /nfs/dbraw/zinc/33/10/39/249331039.db2.gz HABZVUZCLXRSMW-GOSISDBHSA-N 2 2 348.491 1.499 20 30 EDEDLP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000264093471 249333958 /nfs/dbraw/zinc/33/39/58/249333958.db2.gz LONDSMHOEWREGE-GOSISDBHSA-N 2 2 330.476 1.934 20 30 EDEDLP CC1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000264093471 249333961 /nfs/dbraw/zinc/33/39/61/249333961.db2.gz LONDSMHOEWREGE-GOSISDBHSA-N 2 2 330.476 1.934 20 30 EDEDLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424180777 252154462 /nfs/dbraw/zinc/15/44/62/252154462.db2.gz PMNOBPOIBOIWRD-HNNXBMFYSA-N 2 2 335.477 1.507 20 30 EDEDLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cs1 ZINC000424180777 252154465 /nfs/dbraw/zinc/15/44/65/252154465.db2.gz PMNOBPOIBOIWRD-HNNXBMFYSA-N 2 2 335.477 1.507 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424131789 252134553 /nfs/dbraw/zinc/13/45/53/252134553.db2.gz JTHKWUZMGDJRCS-SJORKVTESA-N 2 2 330.432 1.197 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000491047129 255116653 /nfs/dbraw/zinc/11/66/53/255116653.db2.gz TWWBPBAYSNAARO-LJQANCHMSA-N 2 2 347.409 1.949 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OCCC(C)C)CC2)CC1 ZINC000490781128 255107001 /nfs/dbraw/zinc/10/70/01/255107001.db2.gz WTRSREKUMNIWBL-UHFFFAOYSA-N 2 2 335.492 1.291 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000491703491 255143350 /nfs/dbraw/zinc/14/33/50/255143350.db2.gz SRNGPOSOAXDDBX-INIZCTEOSA-N 2 2 325.456 1.992 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H](CO)O3)CC2)cc1 ZINC000340420309 142385452 /nfs/dbraw/zinc/38/54/52/142385452.db2.gz WTDYNZYAXCDKPZ-OALUTQOASA-N 2 2 329.444 1.652 20 30 EDEDLP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000357625616 151089594 /nfs/dbraw/zinc/08/95/94/151089594.db2.gz IFPNYGXXICLIHT-UHFFFAOYSA-N 2 2 336.461 1.337 20 30 EDEDLP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000357625616 151089595 /nfs/dbraw/zinc/08/95/95/151089595.db2.gz IFPNYGXXICLIHT-UHFFFAOYSA-N 2 2 336.461 1.337 20 30 EDEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205787 154040100 /nfs/dbraw/zinc/04/01/00/154040100.db2.gz LJMSJXXNFVUYLE-KRWDZBQOSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205787 154040105 /nfs/dbraw/zinc/04/01/05/154040105.db2.gz LJMSJXXNFVUYLE-KRWDZBQOSA-N 2 2 344.434 1.938 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCc2ccccc2C1 ZINC000086970808 441474792 /nfs/dbraw/zinc/47/47/92/441474792.db2.gz ZFHPHVAYQOYXKQ-UHFFFAOYSA-N 2 2 326.448 1.620 20 30 EDEDLP CC[NH+](CC)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000121461245 441709971 /nfs/dbraw/zinc/70/99/71/441709971.db2.gz BBUVBRXYIPXREQ-UHFFFAOYSA-N 2 2 341.459 1.988 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3OC)C2)CC1 ZINC000120899133 442149459 /nfs/dbraw/zinc/14/94/59/442149459.db2.gz LVDVRTXAWCLYOG-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)CC1 ZINC000120899133 442149460 /nfs/dbraw/zinc/14/94/60/442149460.db2.gz LVDVRTXAWCLYOG-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000170910338 442287272 /nfs/dbraw/zinc/28/72/72/442287272.db2.gz FVJZZPMRUMGIRA-QGZVFWFLSA-N 2 2 347.507 1.372 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000177137303 442303116 /nfs/dbraw/zinc/30/31/16/442303116.db2.gz ZLPSSGSOFKYMHC-UHFFFAOYSA-N 2 2 328.460 1.633 20 30 EDEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266208141 443058348 /nfs/dbraw/zinc/05/83/48/443058348.db2.gz NDUJPAXGJHIOAU-UHFFFAOYSA-N 3 2 325.416 1.848 20 30 EDEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261982111 443178148 /nfs/dbraw/zinc/17/81/48/443178148.db2.gz PEHXMLVTWANZFB-JKSUJKDBSA-N 3 2 329.452 1.628 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC#Cc2ccccc2)CC1 ZINC000267407877 443447176 /nfs/dbraw/zinc/44/71/76/443447176.db2.gz YLINCWJYEZSTDP-UHFFFAOYSA-N 2 2 328.460 1.363 20 30 EDEDLP Cn1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000283609451 443672566 /nfs/dbraw/zinc/67/25/66/443672566.db2.gz UWCNNHUOCBERPN-UHFFFAOYSA-N 2 2 329.408 1.033 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000297163484 444276880 /nfs/dbraw/zinc/27/68/80/444276880.db2.gz AFTANUNDYFCTMV-UHFFFAOYSA-N 2 2 339.443 1.901 20 30 EDEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000340232740 444371967 /nfs/dbraw/zinc/37/19/67/444371967.db2.gz WVRQSCKOPGCIHN-SFHVURJKSA-N 2 2 349.500 1.951 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329596623 444642244 /nfs/dbraw/zinc/64/22/44/444642244.db2.gz IRLDRIXIPHMHBN-ZIAGYGMSSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329596623 444642247 /nfs/dbraw/zinc/64/22/47/444642247.db2.gz IRLDRIXIPHMHBN-ZIAGYGMSSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329596623 444642248 /nfs/dbraw/zinc/64/22/48/444642248.db2.gz IRLDRIXIPHMHBN-ZIAGYGMSSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329596623 444642250 /nfs/dbraw/zinc/64/22/50/444642250.db2.gz IRLDRIXIPHMHBN-ZIAGYGMSSA-N 2 2 347.463 1.366 20 30 EDEDLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329968621 444793207 /nfs/dbraw/zinc/79/32/07/444793207.db2.gz TZURMJLATHPIEM-LSDHHAIUSA-N 2 2 334.468 1.107 20 30 EDEDLP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329968621 444793212 /nfs/dbraw/zinc/79/32/12/444793212.db2.gz TZURMJLATHPIEM-LSDHHAIUSA-N 2 2 334.468 1.107 20 30 EDEDLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344303710 444890276 /nfs/dbraw/zinc/89/02/76/444890276.db2.gz VZKDWPYRBRQFPI-IBGZPJMESA-N 2 2 326.444 1.733 20 30 EDEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C[NH+]1CCCC1 ZINC000330334804 444941058 /nfs/dbraw/zinc/94/10/58/444941058.db2.gz QZKAMCPQXOEDBL-INMHGKMJSA-N 2 2 349.479 1.876 20 30 EDEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362670221 445490004 /nfs/dbraw/zinc/49/00/04/445490004.db2.gz JMMJEBYXOVPMQX-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362670221 445490008 /nfs/dbraw/zinc/49/00/08/445490008.db2.gz JMMJEBYXOVPMQX-QGZVFWFLSA-N 2 2 329.444 1.648 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363180991 445710317 /nfs/dbraw/zinc/71/03/17/445710317.db2.gz PFCJEQRWSQAXJS-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363180991 445710319 /nfs/dbraw/zinc/71/03/19/445710319.db2.gz PFCJEQRWSQAXJS-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363180991 445710321 /nfs/dbraw/zinc/71/03/21/445710321.db2.gz PFCJEQRWSQAXJS-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363180991 445710323 /nfs/dbraw/zinc/71/03/23/445710323.db2.gz PFCJEQRWSQAXJS-GUDVDZBRSA-N 2 2 338.455 1.591 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(CC#N)c3)C2)CC1 ZINC000369264626 446030442 /nfs/dbraw/zinc/03/04/42/446030442.db2.gz CGQATLQAYUGIFR-QGZVFWFLSA-N 2 2 326.444 1.651 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(CC#N)c3)C2)CC1 ZINC000369264626 446030448 /nfs/dbraw/zinc/03/04/48/446030448.db2.gz CGQATLQAYUGIFR-QGZVFWFLSA-N 2 2 326.444 1.651 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832475 446468050 /nfs/dbraw/zinc/46/80/50/446468050.db2.gz YLNYUUKQTLWTMB-GOSISDBHSA-N 2 2 326.444 1.799 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832475 446468058 /nfs/dbraw/zinc/46/80/58/446468058.db2.gz YLNYUUKQTLWTMB-GOSISDBHSA-N 2 2 326.444 1.799 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375817847 447077533 /nfs/dbraw/zinc/07/75/33/447077533.db2.gz VHEMLWWSGUZGTH-MSOLQXFVSA-N 2 2 334.508 1.145 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377374507 447097406 /nfs/dbraw/zinc/09/74/06/447097406.db2.gz QSFMSEAWBWYLHY-INIZCTEOSA-N 2 2 340.471 1.993 20 30 EDEDLP C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377374507 447097415 /nfs/dbraw/zinc/09/74/15/447097415.db2.gz QSFMSEAWBWYLHY-INIZCTEOSA-N 2 2 340.471 1.993 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000490841659 447898714 /nfs/dbraw/zinc/89/87/14/447898714.db2.gz WPTKCVFGTOUROK-UHFFFAOYSA-N 2 2 326.444 1.384 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360421 448344290 /nfs/dbraw/zinc/34/42/90/448344290.db2.gz STZZOHXOGOXGGN-SFHVURJKSA-N 2 2 341.459 1.528 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000591740856 448478679 /nfs/dbraw/zinc/47/86/79/448478679.db2.gz WCZVNNBZGNURIT-MRXNPFEDSA-N 2 2 326.400 1.785 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000518757895 448705446 /nfs/dbraw/zinc/70/54/46/448705446.db2.gz NEZBIVJJJHUHFI-IRXDYDNUSA-N 2 2 340.427 1.856 20 30 EDEDLP N#Cc1ccc(OCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000575127468 449043509 /nfs/dbraw/zinc/04/35/09/449043509.db2.gz IXZGLQLTQYRWCW-UHFFFAOYSA-N 2 2 329.444 1.764 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597992080 449176426 /nfs/dbraw/zinc/17/64/26/449176426.db2.gz JLLJTOOAAQLROC-ZWKOTPCHSA-N 2 2 328.460 1.661 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597992080 449176433 /nfs/dbraw/zinc/17/64/33/449176433.db2.gz JLLJTOOAAQLROC-ZWKOTPCHSA-N 2 2 328.460 1.661 20 30 EDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000595905490 449244347 /nfs/dbraw/zinc/24/43/47/449244347.db2.gz CZEXORBTICAETN-GOSISDBHSA-N 2 2 344.459 1.217 20 30 EDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000595905490 449244351 /nfs/dbraw/zinc/24/43/51/449244351.db2.gz CZEXORBTICAETN-GOSISDBHSA-N 2 2 344.459 1.217 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595869167 449221383 /nfs/dbraw/zinc/22/13/83/449221383.db2.gz VSGQTQIHRGFIEV-QGZVFWFLSA-N 2 2 345.443 1.477 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595869167 449221393 /nfs/dbraw/zinc/22/13/93/449221393.db2.gz VSGQTQIHRGFIEV-QGZVFWFLSA-N 2 2 345.443 1.477 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(C#N)n3)CC2)CC1 ZINC000602696746 449755580 /nfs/dbraw/zinc/75/55/80/449755580.db2.gz FUXZCJKXTCCIFP-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(C#N)n3)CC2)CC1 ZINC000602696746 449755584 /nfs/dbraw/zinc/75/55/84/449755584.db2.gz FUXZCJKXTCCIFP-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602696746 449755586 /nfs/dbraw/zinc/75/55/86/449755586.db2.gz FUXZCJKXTCCIFP-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602696746 449755589 /nfs/dbraw/zinc/75/55/89/449755589.db2.gz FUXZCJKXTCCIFP-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP C=CCOc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000131154155 526899906 /nfs/dbraw/zinc/89/99/06/526899906.db2.gz SJQHRKKXNKTDIP-UHFFFAOYSA-N 2 2 343.471 1.991 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000112358168 527609536 /nfs/dbraw/zinc/60/95/36/527609536.db2.gz QKAMJXRYCLNGHA-UHFFFAOYSA-N 2 2 348.535 1.679 20 30 EDEDLP Cc1noc([C@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000736299930 578975156 /nfs/dbraw/zinc/97/51/56/578975156.db2.gz VTYYVWGGVQGVAA-LBPRGKRZSA-N 2 2 345.403 1.608 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc(C(N)=O)cc2)cc1 ZINC000747838383 579660416 /nfs/dbraw/zinc/66/04/16/579660416.db2.gz AHWQZOKUEARVPP-UHFFFAOYSA-N 2 2 326.400 1.684 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000748815063 579701223 /nfs/dbraw/zinc/70/12/23/579701223.db2.gz LLQYLNYHVCFSFV-KRWDZBQOSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@@H](C)c2ccccc2)C2CC2)CC1 ZINC000748815063 579701224 /nfs/dbraw/zinc/70/12/24/579701224.db2.gz LLQYLNYHVCFSFV-KRWDZBQOSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000748821966 579702248 /nfs/dbraw/zinc/70/22/48/579702248.db2.gz VJCYEBZRAUXELH-LJQANCHMSA-N 2 2 325.456 1.328 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000748821966 579702249 /nfs/dbraw/zinc/70/22/49/579702249.db2.gz VJCYEBZRAUXELH-LJQANCHMSA-N 2 2 325.456 1.328 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000762635143 580079531 /nfs/dbraw/zinc/07/95/31/580079531.db2.gz RKQHYSWJYCNPHY-LJQANCHMSA-N 2 2 325.456 1.991 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000762635143 580079532 /nfs/dbraw/zinc/07/95/32/580079532.db2.gz RKQHYSWJYCNPHY-LJQANCHMSA-N 2 2 325.456 1.991 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765506993 580144347 /nfs/dbraw/zinc/14/43/47/580144347.db2.gz PGEDHFSCPIDXMZ-UHFFFAOYSA-N 2 2 328.460 1.451 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780939157 580538180 /nfs/dbraw/zinc/53/81/80/580538180.db2.gz HMVKKNNOJJOUOZ-SFHVURJKSA-N 2 2 344.459 1.076 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780939157 580538181 /nfs/dbraw/zinc/53/81/81/580538181.db2.gz HMVKKNNOJJOUOZ-SFHVURJKSA-N 2 2 344.459 1.076 20 30 EDEDLP O=C(CC[NH2+]CC#Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000892751674 591160499 /nfs/dbraw/zinc/16/04/99/591160499.db2.gz ZAFDEMBWMKWNDY-UHFFFAOYSA-N 2 2 348.450 1.762 20 30 EDEDLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902769463 592060023 /nfs/dbraw/zinc/06/00/23/592060023.db2.gz YYRFLIDYAXQZAP-HNNXBMFYSA-N 2 2 336.443 1.951 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902806698 592063276 /nfs/dbraw/zinc/06/32/76/592063276.db2.gz MSBXOTCQWAPUHS-DOTOQJQBSA-N 2 2 329.448 1.010 20 30 EDEDLP C[C@H]1[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@@H+]1C ZINC000905003150 592363449 /nfs/dbraw/zinc/36/34/49/592363449.db2.gz VSCWAVWFLPSXDP-QWHCGFSZSA-N 2 2 339.443 1.739 20 30 EDEDLP C[C@H]1[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@H+]1C ZINC000905003150 592363454 /nfs/dbraw/zinc/36/34/54/592363454.db2.gz VSCWAVWFLPSXDP-QWHCGFSZSA-N 2 2 339.443 1.739 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112920292 595563521 /nfs/dbraw/zinc/56/35/21/595563521.db2.gz IYZXSXUKSGVMPN-IBGZPJMESA-N 2 2 325.456 1.676 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112920292 595563524 /nfs/dbraw/zinc/56/35/24/595563524.db2.gz IYZXSXUKSGVMPN-IBGZPJMESA-N 2 2 325.456 1.676 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1SCC#N ZINC000855416326 595705661 /nfs/dbraw/zinc/70/56/61/595705661.db2.gz KVMZTOQWQYTCEB-UHFFFAOYSA-N 2 2 334.489 1.916 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1SCC#N ZINC000855416326 595705666 /nfs/dbraw/zinc/70/56/66/595705666.db2.gz KVMZTOQWQYTCEB-UHFFFAOYSA-N 2 2 334.489 1.916 20 30 EDEDLP C#CCOCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000853664195 595849929 /nfs/dbraw/zinc/84/99/29/595849929.db2.gz KBXVLLZIZKMHLF-UHFFFAOYSA-N 2 2 331.416 1.140 20 30 EDEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009166 596006489 /nfs/dbraw/zinc/00/64/89/596006489.db2.gz KGXIQBVTFODNGW-RTBURBONSA-N 2 2 329.444 1.778 20 30 EDEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009166 596006492 /nfs/dbraw/zinc/00/64/92/596006492.db2.gz KGXIQBVTFODNGW-RTBURBONSA-N 2 2 329.444 1.778 20 30 EDEDLP CN(C)c1c(C=[NH+]NCCC[NH+]2CCOCC2)ccc(F)c1F ZINC000863111276 596503606 /nfs/dbraw/zinc/50/36/06/596503606.db2.gz VAGLGAGTCLSQDB-UHFFFAOYSA-N 2 2 326.391 1.677 20 30 EDEDLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729090 597309839 /nfs/dbraw/zinc/30/98/39/597309839.db2.gz DQNGGBQFBRQHDR-UGSOOPFHSA-N 2 2 337.427 1.703 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000884102441 597995956 /nfs/dbraw/zinc/99/59/56/597995956.db2.gz CRULHIZSJFCGNQ-GOSISDBHSA-N 2 2 326.444 1.399 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000884102441 597995957 /nfs/dbraw/zinc/99/59/57/597995957.db2.gz CRULHIZSJFCGNQ-GOSISDBHSA-N 2 2 326.444 1.399 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000914124805 695133095 /nfs/dbraw/zinc/13/30/95/695133095.db2.gz UKVSBAZMPOOODS-UHFFFAOYSA-N 2 2 329.448 1.589 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993329682 695983920 /nfs/dbraw/zinc/98/39/20/695983920.db2.gz BZZRUWUQUIDAOG-WBVHZDCISA-N 2 2 328.460 1.754 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993329682 695983922 /nfs/dbraw/zinc/98/39/22/695983922.db2.gz BZZRUWUQUIDAOG-WBVHZDCISA-N 2 2 328.460 1.754 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)CC1 ZINC001031434703 697101341 /nfs/dbraw/zinc/10/13/41/697101341.db2.gz AWDABLWCKWSYEN-UHFFFAOYSA-N 2 2 325.403 1.177 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943257906 698025676 /nfs/dbraw/zinc/02/56/76/698025676.db2.gz XNTGEUJJRDEUDC-IRXDYDNUSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943257906 698025682 /nfs/dbraw/zinc/02/56/82/698025682.db2.gz XNTGEUJJRDEUDC-IRXDYDNUSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001031740576 698311029 /nfs/dbraw/zinc/31/10/29/698311029.db2.gz FHOLIJXGVQUFBQ-IBGZPJMESA-N 2 2 341.455 1.341 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001031740576 698311032 /nfs/dbraw/zinc/31/10/32/698311032.db2.gz FHOLIJXGVQUFBQ-IBGZPJMESA-N 2 2 341.455 1.341 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC000941484820 701554876 /nfs/dbraw/zinc/55/48/76/701554876.db2.gz IQOTXSHBBUIXIN-UHFFFAOYSA-N 2 2 339.443 1.352 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031774516 699146405 /nfs/dbraw/zinc/14/64/05/699146405.db2.gz APYBTBWBBQSARN-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031774516 699146406 /nfs/dbraw/zinc/14/64/06/699146406.db2.gz APYBTBWBBQSARN-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939211659 699360063 /nfs/dbraw/zinc/36/00/63/699360063.db2.gz UMFFRPGYTKPBRG-YVEFUNNKSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031977688 702031265 /nfs/dbraw/zinc/03/12/65/702031265.db2.gz GKCJRIRMEBXZEA-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031977688 702031270 /nfs/dbraw/zinc/03/12/70/702031270.db2.gz GKCJRIRMEBXZEA-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000997127721 703384901 /nfs/dbraw/zinc/38/49/01/703384901.db2.gz RYFZOVIYADMIAM-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997243432 703529764 /nfs/dbraw/zinc/52/97/64/703529764.db2.gz JESMRVYNMIYNHB-VQIMIIECSA-N 2 2 349.519 1.890 20 30 EDEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997243432 703529766 /nfs/dbraw/zinc/52/97/66/703529766.db2.gz JESMRVYNMIYNHB-VQIMIIECSA-N 2 2 349.519 1.890 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000997389574 703657439 /nfs/dbraw/zinc/65/74/39/703657439.db2.gz IGPFPJBKQOFQDQ-OAHLLOKOSA-N 2 2 337.427 1.731 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095222 704181582 /nfs/dbraw/zinc/18/15/82/704181582.db2.gz UOGKWKRFFDWBGJ-YOEHRIQHSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095222 704181584 /nfs/dbraw/zinc/18/15/84/704181584.db2.gz UOGKWKRFFDWBGJ-YOEHRIQHSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095222 704181585 /nfs/dbraw/zinc/18/15/85/704181585.db2.gz UOGKWKRFFDWBGJ-YOEHRIQHSA-N 2 2 331.464 1.899 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095222 704181587 /nfs/dbraw/zinc/18/15/87/704181587.db2.gz UOGKWKRFFDWBGJ-YOEHRIQHSA-N 2 2 331.464 1.899 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C(F)(F)F ZINC000998277063 705660167 /nfs/dbraw/zinc/66/01/67/705660167.db2.gz NCKWOBOFOASWRD-QWHCGFSZSA-N 2 2 342.365 1.355 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630104 705759551 /nfs/dbraw/zinc/75/95/51/705759551.db2.gz XGQKZLAVKQLWBX-OALUTQOASA-N 2 2 325.456 1.713 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630104 705759553 /nfs/dbraw/zinc/75/95/53/705759553.db2.gz XGQKZLAVKQLWBX-OALUTQOASA-N 2 2 325.456 1.713 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999389767 706902817 /nfs/dbraw/zinc/90/28/17/706902817.db2.gz CCELLJTWWLBTGD-ZBFHGGJFSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999389767 706902819 /nfs/dbraw/zinc/90/28/19/706902819.db2.gz CCELLJTWWLBTGD-ZBFHGGJFSA-N 2 2 332.473 1.321 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033264279 707285325 /nfs/dbraw/zinc/28/53/25/707285325.db2.gz BSEFXJJILNTJME-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033264279 707285329 /nfs/dbraw/zinc/28/53/29/707285329.db2.gz BSEFXJJILNTJME-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999838442 707410456 /nfs/dbraw/zinc/41/04/56/707410456.db2.gz WIHGVDGQZDHUEK-ZDUSSCGKSA-N 2 2 341.253 1.762 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001001421374 708146884 /nfs/dbraw/zinc/14/68/84/708146884.db2.gz FPQKGPBRUQZWCF-SFHVURJKSA-N 2 2 343.475 1.642 20 30 EDEDLP CC#CC[NH+]1CCC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001001421374 708146887 /nfs/dbraw/zinc/14/68/87/708146887.db2.gz FPQKGPBRUQZWCF-SFHVURJKSA-N 2 2 343.475 1.642 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279823 709695864 /nfs/dbraw/zinc/69/58/64/709695864.db2.gz XUIPYPPWDACGFY-CVEARBPZSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279823 709695866 /nfs/dbraw/zinc/69/58/66/709695866.db2.gz XUIPYPPWDACGFY-CVEARBPZSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279823 709695871 /nfs/dbraw/zinc/69/58/71/709695871.db2.gz XUIPYPPWDACGFY-CVEARBPZSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279823 709695873 /nfs/dbraw/zinc/69/58/73/709695873.db2.gz XUIPYPPWDACGFY-CVEARBPZSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638497 712106624 /nfs/dbraw/zinc/10/66/24/712106624.db2.gz NEJAMDLIJJGAIO-IYBDPMFKSA-N 2 2 327.428 1.436 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638497 712106625 /nfs/dbraw/zinc/10/66/25/712106625.db2.gz NEJAMDLIJJGAIO-IYBDPMFKSA-N 2 2 327.428 1.436 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)CCC2 ZINC000328646725 539340886 /nfs/dbraw/zinc/34/08/86/539340886.db2.gz HCIDXTJWBVBHKA-LSDHHAIUSA-N 2 2 335.452 1.245 20 30 EDEDLP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000329131243 539414879 /nfs/dbraw/zinc/41/48/79/539414879.db2.gz AEFQDURNJSNRNH-UHFFFAOYSA-N 2 2 348.495 1.325 20 30 EDEDLP C[NH+]=C(NCc1ccn(C)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262688697 249322212 /nfs/dbraw/zinc/32/22/12/249322212.db2.gz BQCJRZMZVLBIGL-UHFFFAOYSA-N 2 2 347.507 1.725 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)N(C)CCC#N ZINC000353046276 250080640 /nfs/dbraw/zinc/08/06/40/250080640.db2.gz SUFCIOOXBPZUHI-UONOGXRCSA-N 2 2 331.464 1.846 20 30 EDEDLP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000367389560 250194670 /nfs/dbraw/zinc/19/46/70/250194670.db2.gz JSOALTHAFJQABA-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000367389560 250194672 /nfs/dbraw/zinc/19/46/72/250194672.db2.gz JSOALTHAFJQABA-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000367389560 250194677 /nfs/dbraw/zinc/19/46/77/250194677.db2.gz JSOALTHAFJQABA-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000367389560 250194679 /nfs/dbraw/zinc/19/46/79/250194679.db2.gz JSOALTHAFJQABA-LJQANCHMSA-N 2 2 343.471 1.654 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000491630814 255134033 /nfs/dbraw/zinc/13/40/33/255134033.db2.gz OBOSZOIWIMCRGU-QGZVFWFLSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000491630814 255134034 /nfs/dbraw/zinc/13/40/34/255134034.db2.gz OBOSZOIWIMCRGU-QGZVFWFLSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491630814 255134036 /nfs/dbraw/zinc/13/40/36/255134036.db2.gz OBOSZOIWIMCRGU-QGZVFWFLSA-N 2 2 343.471 1.683 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000491630814 255134038 /nfs/dbraw/zinc/13/40/38/255134038.db2.gz OBOSZOIWIMCRGU-QGZVFWFLSA-N 2 2 343.471 1.683 20 30 EDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000264302235 139395248 /nfs/dbraw/zinc/39/52/48/139395248.db2.gz VLRHELCOEWOGGY-HXUWFJFHSA-N 2 2 342.487 1.785 20 30 EDEDLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000264302235 139395249 /nfs/dbraw/zinc/39/52/49/139395249.db2.gz VLRHELCOEWOGGY-HXUWFJFHSA-N 2 2 342.487 1.785 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369598710 155103496 /nfs/dbraw/zinc/10/34/96/155103496.db2.gz BTWKZUWGJCIYOE-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369598710 155103500 /nfs/dbraw/zinc/10/35/00/155103500.db2.gz BTWKZUWGJCIYOE-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369598710 155103501 /nfs/dbraw/zinc/10/35/01/155103501.db2.gz BTWKZUWGJCIYOE-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369598710 155103506 /nfs/dbraw/zinc/10/35/06/155103506.db2.gz BTWKZUWGJCIYOE-QRVBRYPASA-N 2 2 338.455 1.591 20 30 EDEDLP C=CCOCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018806 447311202 /nfs/dbraw/zinc/31/12/02/447311202.db2.gz KVOKTJWJGBOGCJ-UHFFFAOYSA-N 2 2 337.508 1.988 20 30 EDEDLP C=CCOCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018806 447311207 /nfs/dbraw/zinc/31/12/07/447311207.db2.gz KVOKTJWJGBOGCJ-UHFFFAOYSA-N 2 2 337.508 1.988 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000057152702 441092988 /nfs/dbraw/zinc/09/29/88/441092988.db2.gz PDZNDGXLJSGUAH-UHFFFAOYSA-N 2 2 326.444 1.071 20 30 EDEDLP C[NH+]=C(NCCn1cc(C)cn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159961654 441849150 /nfs/dbraw/zinc/84/91/50/441849150.db2.gz MTKDKARXWBYIJX-HZPDHXFCSA-N 2 2 329.452 1.547 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000161346200 441988648 /nfs/dbraw/zinc/98/86/48/441988648.db2.gz MTEZADBRVFHNOA-UHFFFAOYSA-N 2 2 327.432 1.546 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]([NH3+])C2CC2)CC1=O ZINC000154013056 442316233 /nfs/dbraw/zinc/31/62/33/442316233.db2.gz HEZOTWVYDPDLML-GFCCVEGCSA-N 2 2 325.416 1.383 20 30 EDEDLP C[NH+]=C(NCc1c(C)noc1C)NCc1cccnc1-n1cc[nH+]c1 ZINC000156421658 442478737 /nfs/dbraw/zinc/47/87/37/442478737.db2.gz HLOJULLSXDFVKM-UHFFFAOYSA-N 2 2 339.403 1.737 20 30 EDEDLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000276950246 443876860 /nfs/dbraw/zinc/87/68/60/443876860.db2.gz JMLLKSGBXJUXQI-UHFFFAOYSA-N 3 2 338.459 1.594 20 30 EDEDLP C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328959859 444423843 /nfs/dbraw/zinc/42/38/43/444423843.db2.gz QCSWDVOERZNBAF-HHXXYDBFSA-N 2 2 347.507 1.593 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328959859 444423848 /nfs/dbraw/zinc/42/38/48/444423848.db2.gz QCSWDVOERZNBAF-HHXXYDBFSA-N 2 2 347.507 1.593 20 30 EDEDLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)CC1 ZINC000331312536 444464822 /nfs/dbraw/zinc/46/48/22/444464822.db2.gz VPSJDXHZYXCLLN-KRWDZBQOSA-N 2 2 349.523 1.237 20 30 EDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331689341 444482456 /nfs/dbraw/zinc/48/24/56/444482456.db2.gz SXEHXUMWTVHWQR-GOEBONIOSA-N 2 2 332.473 1.674 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000329191685 444496457 /nfs/dbraw/zinc/49/64/57/444496457.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000329191685 444496459 /nfs/dbraw/zinc/49/64/59/444496459.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000329191685 444496461 /nfs/dbraw/zinc/49/64/61/444496461.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000329191685 444496462 /nfs/dbraw/zinc/49/64/62/444496462.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 2 335.452 1.090 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000333396746 444663388 /nfs/dbraw/zinc/66/33/88/444663388.db2.gz DTLXJHUPAOBIHI-WBVHZDCISA-N 2 2 347.463 1.590 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353450221 445606778 /nfs/dbraw/zinc/60/67/78/445606778.db2.gz PCNKLPZACSUQQN-VQIMIIECSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353450221 445606780 /nfs/dbraw/zinc/60/67/80/445606780.db2.gz PCNKLPZACSUQQN-VQIMIIECSA-N 2 2 337.508 1.842 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000369275296 446040819 /nfs/dbraw/zinc/04/08/19/446040819.db2.gz XAYYQMSBPNJBHP-GOSISDBHSA-N 2 2 340.471 1.776 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000369275296 446040825 /nfs/dbraw/zinc/04/08/25/446040825.db2.gz XAYYQMSBPNJBHP-GOSISDBHSA-N 2 2 340.471 1.776 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376476073 446519671 /nfs/dbraw/zinc/51/96/71/446519671.db2.gz DSDGNCMEMJAMPL-KBAYOESNSA-N 2 2 335.492 1.642 20 30 EDEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376476073 446519677 /nfs/dbraw/zinc/51/96/77/446519677.db2.gz DSDGNCMEMJAMPL-KBAYOESNSA-N 2 2 335.492 1.642 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367619825 446568817 /nfs/dbraw/zinc/56/88/17/446568817.db2.gz WQBOUBHUQOCMHS-HKUYNNGSSA-N 2 2 348.535 1.676 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367619825 446568826 /nfs/dbraw/zinc/56/88/26/446568826.db2.gz WQBOUBHUQOCMHS-HKUYNNGSSA-N 2 2 348.535 1.676 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371266960 446726647 /nfs/dbraw/zinc/72/66/47/446726647.db2.gz SZONQETWOMPTPF-MJGOQNOKSA-N 2 2 349.523 1.000 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371266960 446726651 /nfs/dbraw/zinc/72/66/51/446726651.db2.gz SZONQETWOMPTPF-MJGOQNOKSA-N 2 2 349.523 1.000 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)s1 ZINC000371514661 446907209 /nfs/dbraw/zinc/90/72/09/446907209.db2.gz OVTJPEOHOOYIRW-LSDHHAIUSA-N 2 2 334.489 1.677 20 30 EDEDLP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C[NH+](C)C ZINC000571277879 448125283 /nfs/dbraw/zinc/12/52/83/448125283.db2.gz YZISEGMZIKGPBY-CQSZACIVSA-N 2 2 337.489 1.898 20 30 EDEDLP C=CCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000583199815 448427244 /nfs/dbraw/zinc/42/72/44/448427244.db2.gz JKFAAVHLGCOXJU-NUJGCVRESA-N 2 2 334.460 1.811 20 30 EDEDLP C[C@@H]1C[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000528395951 448511275 /nfs/dbraw/zinc/51/12/75/448511275.db2.gz MSFCIOFTKPXNCT-CVEARBPZSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000528395951 448511279 /nfs/dbraw/zinc/51/12/79/448511279.db2.gz MSFCIOFTKPXNCT-CVEARBPZSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395951 448511282 /nfs/dbraw/zinc/51/12/82/448511282.db2.gz MSFCIOFTKPXNCT-CVEARBPZSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395951 448511284 /nfs/dbraw/zinc/51/12/84/448511284.db2.gz MSFCIOFTKPXNCT-CVEARBPZSA-N 2 2 339.439 1.701 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528430094 448525871 /nfs/dbraw/zinc/52/58/71/448525871.db2.gz VZJWNTDSKKHYBF-HZPDHXFCSA-N 2 2 326.400 1.521 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528430094 448525873 /nfs/dbraw/zinc/52/58/73/448525873.db2.gz VZJWNTDSKKHYBF-HZPDHXFCSA-N 2 2 326.400 1.521 20 30 EDEDLP C=C(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609294 448589716 /nfs/dbraw/zinc/58/97/16/448589716.db2.gz ZJDOSTOCDXARDY-CJNGLKHVSA-N 2 2 338.402 1.866 20 30 EDEDLP C=C(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000578609294 448589719 /nfs/dbraw/zinc/58/97/19/448589719.db2.gz ZJDOSTOCDXARDY-CJNGLKHVSA-N 2 2 338.402 1.866 20 30 EDEDLP N#CC[C@@]1(O)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000592153130 448715145 /nfs/dbraw/zinc/71/51/45/448715145.db2.gz JRLRXKLBOVCCFP-LJQANCHMSA-N 2 2 328.460 1.549 20 30 EDEDLP N#CC[C@@]1(O)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000592153130 448715148 /nfs/dbraw/zinc/71/51/48/448715148.db2.gz JRLRXKLBOVCCFP-LJQANCHMSA-N 2 2 328.460 1.549 20 30 EDEDLP N#CC[C@]1(O)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153779 448715475 /nfs/dbraw/zinc/71/54/75/448715475.db2.gz OOZGHSDKBZVMSR-MOPGFXCFSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153779 448715482 /nfs/dbraw/zinc/71/54/82/448715482.db2.gz OOZGHSDKBZVMSR-MOPGFXCFSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153779 448715487 /nfs/dbraw/zinc/71/54/87/448715487.db2.gz OOZGHSDKBZVMSR-MOPGFXCFSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@]1(O)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153779 448715490 /nfs/dbraw/zinc/71/54/90/448715490.db2.gz OOZGHSDKBZVMSR-MOPGFXCFSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000600739700 449527371 /nfs/dbraw/zinc/52/73/71/449527371.db2.gz TYTJTUVXHOKSSM-QZTJIDSGSA-N 2 2 329.444 1.050 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000600739700 449527375 /nfs/dbraw/zinc/52/73/75/449527375.db2.gz TYTJTUVXHOKSSM-QZTJIDSGSA-N 2 2 329.444 1.050 20 30 EDEDLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438172 449516884 /nfs/dbraw/zinc/51/68/84/449516884.db2.gz MZQWPWQGIZMITR-KRWDZBQOSA-N 2 2 344.459 1.751 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000594440584 449519022 /nfs/dbraw/zinc/51/90/22/449519022.db2.gz GECVEURJWHKZPK-MSOLQXFVSA-N 2 2 344.459 1.587 20 30 EDEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000594440585 449519390 /nfs/dbraw/zinc/51/93/90/449519390.db2.gz GECVEURJWHKZPK-QZTJIDSGSA-N 2 2 344.459 1.587 20 30 EDEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)n2c1 ZINC000594993349 449833611 /nfs/dbraw/zinc/83/36/11/449833611.db2.gz OZOZTYZQGDDDNI-INIZCTEOSA-N 2 2 325.416 1.549 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470762 450164901 /nfs/dbraw/zinc/16/49/01/450164901.db2.gz RWVHVAGWIGZJSB-DLBZAZTESA-N 2 2 336.480 1.181 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470762 450164907 /nfs/dbraw/zinc/16/49/07/450164907.db2.gz RWVHVAGWIGZJSB-DLBZAZTESA-N 2 2 336.480 1.181 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC000595516935 450200956 /nfs/dbraw/zinc/20/09/56/450200956.db2.gz QPSYNUIBFULSMV-JKSUJKDBSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC000595516935 450200959 /nfs/dbraw/zinc/20/09/59/450200959.db2.gz QPSYNUIBFULSMV-JKSUJKDBSA-N 2 2 333.480 1.490 20 30 EDEDLP C=CCn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000644166500 453098487 /nfs/dbraw/zinc/09/84/87/453098487.db2.gz QCTAPRVDRVGCIK-AEFFLSMTSA-N 2 2 325.416 1.810 20 30 EDEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000177909601 526452897 /nfs/dbraw/zinc/45/28/97/526452897.db2.gz MONPYNGLUAKZFC-AWEZNQCLSA-N 2 2 337.489 1.896 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCc2ccccc2)CC1 ZINC000748812276 579700769 /nfs/dbraw/zinc/70/07/69/579700769.db2.gz BMCQPXJIAUEEEY-UHFFFAOYSA-N 2 2 327.472 1.719 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCc2ccccc2)CC1 ZINC000748812276 579700770 /nfs/dbraw/zinc/70/07/70/579700770.db2.gz BMCQPXJIAUEEEY-UHFFFAOYSA-N 2 2 327.472 1.719 20 30 EDEDLP NC(=[NH+]OC[C@@H]1CCCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000769877452 580247589 /nfs/dbraw/zinc/24/75/89/580247589.db2.gz JWTWVQGJEKNBBQ-MRXNPFEDSA-N 2 2 333.432 1.582 20 30 EDEDLP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000799490379 581029460 /nfs/dbraw/zinc/02/94/60/581029460.db2.gz AUBMLGBFLOJPRZ-KRWDZBQOSA-N 2 2 330.476 1.949 20 30 EDEDLP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000799490379 581029461 /nfs/dbraw/zinc/02/94/61/581029461.db2.gz AUBMLGBFLOJPRZ-KRWDZBQOSA-N 2 2 330.476 1.949 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC[N@@H+]2C)CC1=O ZINC000146463855 590732451 /nfs/dbraw/zinc/73/24/51/590732451.db2.gz GPWLODCOIOYJBK-CYBMUJFWSA-N 2 2 339.443 1.740 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC[N@H+]2C)CC1=O ZINC000146463855 590732463 /nfs/dbraw/zinc/73/24/63/590732463.db2.gz GPWLODCOIOYJBK-CYBMUJFWSA-N 2 2 339.443 1.740 20 30 EDEDLP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895671947 591247997 /nfs/dbraw/zinc/24/79/97/591247997.db2.gz NDXQEKQNYVLNHN-INIZCTEOSA-N 2 2 339.480 1.603 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000900014465 591867797 /nfs/dbraw/zinc/86/77/97/591867797.db2.gz XUYWJUUNRBHSQD-OAHLLOKOSA-N 2 2 337.489 1.746 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000900158158 591920302 /nfs/dbraw/zinc/92/03/02/591920302.db2.gz MXZCCLFHARIJNE-UHFFFAOYSA-N 2 2 344.459 1.521 20 30 EDEDLP COC/C(C)=C/CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703292 592051726 /nfs/dbraw/zinc/05/17/26/592051726.db2.gz DXBVEMUVVGSQNE-VIZOYTHASA-N 2 2 333.432 1.748 20 30 EDEDLP COC/C(C)=C/CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703292 592051728 /nfs/dbraw/zinc/05/17/28/592051728.db2.gz DXBVEMUVVGSQNE-VIZOYTHASA-N 2 2 333.432 1.748 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000908110752 592325621 /nfs/dbraw/zinc/32/56/21/592325621.db2.gz USLMERBRJCQPII-INIZCTEOSA-N 2 2 334.464 1.995 20 30 EDEDLP C#Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000906852898 592383972 /nfs/dbraw/zinc/38/39/72/592383972.db2.gz LGGLLNMTXPHQBD-UHFFFAOYSA-N 2 2 349.500 1.314 20 30 EDEDLP C#Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000906852898 592383977 /nfs/dbraw/zinc/38/39/77/592383977.db2.gz LGGLLNMTXPHQBD-UHFFFAOYSA-N 2 2 349.500 1.314 20 30 EDEDLP C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734274479 592958977 /nfs/dbraw/zinc/95/89/77/592958977.db2.gz XEAAUCACPBLXQC-LBPRGKRZSA-N 2 2 345.285 1.363 20 30 EDEDLP C=C(Br)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734274479 592958978 /nfs/dbraw/zinc/95/89/78/592958978.db2.gz XEAAUCACPBLXQC-LBPRGKRZSA-N 2 2 345.285 1.363 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000104327088 594901308 /nfs/dbraw/zinc/90/13/08/594901308.db2.gz WMBBTMWANDBWTI-UHFFFAOYSA-N 2 2 326.404 1.575 20 30 EDEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000847020945 595351433 /nfs/dbraw/zinc/35/14/33/595351433.db2.gz GWILFNOYUABGPW-MRXNPFEDSA-N 2 2 331.485 1.738 20 30 EDEDLP C#C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000847020945 595351435 /nfs/dbraw/zinc/35/14/35/595351435.db2.gz GWILFNOYUABGPW-MRXNPFEDSA-N 2 2 331.485 1.738 20 30 EDEDLP OC1CCN(c2ccc(C=[NH+]NC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2)CC1 ZINC000853324266 595735389 /nfs/dbraw/zinc/73/53/89/595735389.db2.gz AAFIRUNITUBVQY-QZTJIDSGSA-N 2 2 341.459 1.842 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C#N)CCCOC3)CC2)CC1 ZINC000868923749 596353299 /nfs/dbraw/zinc/35/32/99/596353299.db2.gz PFYZKHAWLUISQN-IBGZPJMESA-N 2 2 348.491 1.325 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C#N)CCCOC3)CC2)CC1 ZINC000868923749 596353304 /nfs/dbraw/zinc/35/33/04/596353304.db2.gz PFYZKHAWLUISQN-IBGZPJMESA-N 2 2 348.491 1.325 20 30 EDEDLP COc1c(C)c[nH+]c(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1C ZINC000884205199 598028054 /nfs/dbraw/zinc/02/80/54/598028054.db2.gz PSKFBTYGZLQVHB-FVRSWCFKSA-N 2 2 328.416 1.463 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000939858312 699997380 /nfs/dbraw/zinc/99/73/80/699997380.db2.gz XZQWVRAGYYPQNN-SUMWQHHRSA-N 2 2 341.390 1.531 20 30 EDEDLP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015705492 696596864 /nfs/dbraw/zinc/59/68/64/696596864.db2.gz MIHLGGQJZGPPFM-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015705492 696596865 /nfs/dbraw/zinc/59/68/65/696596865.db2.gz MIHLGGQJZGPPFM-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015705492 696596868 /nfs/dbraw/zinc/59/68/68/696596868.db2.gz MIHLGGQJZGPPFM-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015705492 696596871 /nfs/dbraw/zinc/59/68/71/696596871.db2.gz MIHLGGQJZGPPFM-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031580509 697275698 /nfs/dbraw/zinc/27/56/98/697275698.db2.gz UNZXETSQFLQGJH-KRWDZBQOSA-N 2 2 330.407 1.340 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031580509 697275700 /nfs/dbraw/zinc/27/57/00/697275700.db2.gz UNZXETSQFLQGJH-KRWDZBQOSA-N 2 2 330.407 1.340 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)nsc2C)C1 ZINC001031740744 698311905 /nfs/dbraw/zinc/31/19/05/698311905.db2.gz KGDFDPSEBNHGPK-KRWDZBQOSA-N 2 2 346.500 1.406 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)nsc2C)C1 ZINC001031740744 698311908 /nfs/dbraw/zinc/31/19/08/698311908.db2.gz KGDFDPSEBNHGPK-KRWDZBQOSA-N 2 2 346.500 1.406 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031776197 699152668 /nfs/dbraw/zinc/15/26/68/699152668.db2.gz HBBJOPPBPJMUAV-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031776197 699152670 /nfs/dbraw/zinc/15/26/70/699152670.db2.gz HBBJOPPBPJMUAV-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939213030 699361924 /nfs/dbraw/zinc/36/19/24/699361924.db2.gz ARDRJZLEOSWNRZ-XHDPSFHLSA-N 2 2 329.429 1.522 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000939536281 699677355 /nfs/dbraw/zinc/67/73/55/699677355.db2.gz VIYLBIWHUOMESS-KBXCAEBGSA-N 2 2 337.427 1.471 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995251751 702980136 /nfs/dbraw/zinc/98/01/36/702980136.db2.gz QNLWMQJOOQLULY-ZWKOTPCHSA-N 2 2 337.427 1.829 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001032416896 703489134 /nfs/dbraw/zinc/48/91/34/703489134.db2.gz OWLCZGSFVZYHML-GRDNDAEWSA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032416896 703489136 /nfs/dbraw/zinc/48/91/36/703489136.db2.gz OWLCZGSFVZYHML-GRDNDAEWSA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032416896 703489138 /nfs/dbraw/zinc/48/91/38/703489138.db2.gz OWLCZGSFVZYHML-GRDNDAEWSA-N 2 2 329.448 1.651 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032416896 703489140 /nfs/dbraw/zinc/48/91/40/703489140.db2.gz OWLCZGSFVZYHML-GRDNDAEWSA-N 2 2 329.448 1.651 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999390184 706903191 /nfs/dbraw/zinc/90/31/91/706903191.db2.gz FARXIPISOZBIOP-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999390184 706903195 /nfs/dbraw/zinc/90/31/95/706903195.db2.gz FARXIPISOZBIOP-RDJZCZTQSA-N 2 2 330.432 1.161 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000999837160 707473439 /nfs/dbraw/zinc/47/34/39/707473439.db2.gz QEMLWGUQOPXJLA-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032734138 707743628 /nfs/dbraw/zinc/74/36/28/707743628.db2.gz YQICPFNXVQERTK-ROUUACIJSA-N 2 2 336.439 1.439 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032734138 707743631 /nfs/dbraw/zinc/74/36/31/707743631.db2.gz YQICPFNXVQERTK-ROUUACIJSA-N 2 2 336.439 1.439 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138814 708675882 /nfs/dbraw/zinc/67/58/82/708675882.db2.gz PHCBPXYUCAXCBG-HNNXBMFYSA-N 2 2 329.872 1.288 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138814 708675884 /nfs/dbraw/zinc/67/58/84/708675884.db2.gz PHCBPXYUCAXCBG-HNNXBMFYSA-N 2 2 329.872 1.288 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002442979 708962210 /nfs/dbraw/zinc/96/22/10/708962210.db2.gz BUVMQZXMEKRDQZ-SFHVURJKSA-N 2 2 344.434 1.872 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002442979 708962212 /nfs/dbraw/zinc/96/22/12/708962212.db2.gz BUVMQZXMEKRDQZ-SFHVURJKSA-N 2 2 344.434 1.872 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954309 709135701 /nfs/dbraw/zinc/13/57/01/709135701.db2.gz RYHLLOKGIQNDEI-OAHLLOKOSA-N 2 2 332.448 1.993 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033954309 709135702 /nfs/dbraw/zinc/13/57/02/709135702.db2.gz RYHLLOKGIQNDEI-OAHLLOKOSA-N 2 2 332.448 1.993 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032967424 711027742 /nfs/dbraw/zinc/02/77/42/711027742.db2.gz ITGCVEULCRCVGB-QZTJIDSGSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032967424 711027747 /nfs/dbraw/zinc/02/77/47/711027747.db2.gz ITGCVEULCRCVGB-QZTJIDSGSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967424 711027752 /nfs/dbraw/zinc/02/77/52/711027752.db2.gz ITGCVEULCRCVGB-QZTJIDSGSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967424 711027754 /nfs/dbraw/zinc/02/77/54/711027754.db2.gz ITGCVEULCRCVGB-QZTJIDSGSA-N 2 2 326.444 1.685 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]3(O)CCSC3)CC2)CC1 ZINC000328955578 539379195 /nfs/dbraw/zinc/37/91/95/539379195.db2.gz IWJNXGFVWGRTSX-INIZCTEOSA-N 2 2 327.494 1.370 20 30 EDEDLP C[C@H]1C[N@@H+](C2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)CCO1 ZINC000092079237 138286616 /nfs/dbraw/zinc/28/66/16/138286616.db2.gz JRVPGPCMVGIDJO-HNNXBMFYSA-N 2 2 339.443 1.891 20 30 EDEDLP C[C@H]1C[N@H+](C2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)CCO1 ZINC000092079237 138286617 /nfs/dbraw/zinc/28/66/17/138286617.db2.gz JRVPGPCMVGIDJO-HNNXBMFYSA-N 2 2 339.443 1.891 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000093172194 138292415 /nfs/dbraw/zinc/29/24/15/138292415.db2.gz CGEBLWPLJXAFSJ-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247233241 249315536 /nfs/dbraw/zinc/31/55/36/249315536.db2.gz RMKCICGUFORJCW-MAUKXSAKSA-N 2 2 329.448 1.891 20 30 EDEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247233241 249315539 /nfs/dbraw/zinc/31/55/39/249315539.db2.gz RMKCICGUFORJCW-MAUKXSAKSA-N 2 2 329.448 1.891 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000091506442 218016045 /nfs/dbraw/zinc/01/60/45/218016045.db2.gz OHYKIPWXDBJYOR-GOSISDBHSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000091506442 218016047 /nfs/dbraw/zinc/01/60/47/218016047.db2.gz OHYKIPWXDBJYOR-GOSISDBHSA-N 2 2 342.487 1.787 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)C(C)C ZINC000359029109 250150049 /nfs/dbraw/zinc/15/00/49/250150049.db2.gz JNGGHAKJQFUMEW-CVEARBPZSA-N 2 2 345.447 1.571 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)C(C)C ZINC000359029109 250150052 /nfs/dbraw/zinc/15/00/52/250150052.db2.gz JNGGHAKJQFUMEW-CVEARBPZSA-N 2 2 345.447 1.571 20 30 EDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]2)C[C@H](C)O1 ZINC000424133318 252136300 /nfs/dbraw/zinc/13/63/00/252136300.db2.gz LYLIBLOAMIKBPN-IJEWVQPXSA-N 2 2 345.447 1.333 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491682675 255140660 /nfs/dbraw/zinc/14/06/60/255140660.db2.gz UBTDYJTXWMVBLG-CVEARBPZSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491682675 255140662 /nfs/dbraw/zinc/14/06/62/255140662.db2.gz UBTDYJTXWMVBLG-CVEARBPZSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491682675 255140663 /nfs/dbraw/zinc/14/06/63/255140663.db2.gz UBTDYJTXWMVBLG-CVEARBPZSA-N 2 2 333.501 1.948 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491682675 255140665 /nfs/dbraw/zinc/14/06/65/255140665.db2.gz UBTDYJTXWMVBLG-CVEARBPZSA-N 2 2 333.501 1.948 20 30 EDEDLP CN(C)c1nc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc[nH+]1 ZINC000352227143 162061168 /nfs/dbraw/zinc/06/11/68/162061168.db2.gz LFTHPNGINSNZCH-UHFFFAOYSA-N 2 2 340.406 1.876 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000539198421 306034897 /nfs/dbraw/zinc/03/48/97/306034897.db2.gz LDVUPYAFGBUMSD-HZPDHXFCSA-N 2 2 326.400 1.521 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000539198421 306034898 /nfs/dbraw/zinc/03/48/98/306034898.db2.gz LDVUPYAFGBUMSD-HZPDHXFCSA-N 2 2 326.400 1.521 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611415 306180568 /nfs/dbraw/zinc/18/05/68/306180568.db2.gz ILYMKWGPMHMXMK-HKUYNNGSSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611415 306180569 /nfs/dbraw/zinc/18/05/69/306180569.db2.gz ILYMKWGPMHMXMK-HKUYNNGSSA-N 2 2 347.459 1.244 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717149 441200388 /nfs/dbraw/zinc/20/03/88/441200388.db2.gz IHUJJRRNLDEUQA-INIZCTEOSA-N 2 2 344.459 1.801 20 30 EDEDLP C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970681 443177098 /nfs/dbraw/zinc/17/70/98/443177098.db2.gz MSBWQQMBBQCKCH-GJZGRUSLSA-N 2 2 348.495 1.504 20 30 EDEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cc[nH+]cc2C)CC1 ZINC000269936352 443456187 /nfs/dbraw/zinc/45/61/87/443456187.db2.gz FHIMFLBGXSYNSH-UHFFFAOYSA-N 2 2 333.436 1.458 20 30 EDEDLP OCC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000284217289 443769783 /nfs/dbraw/zinc/76/97/83/443769783.db2.gz UBSPYZWBRGXNIZ-IYBDPMFKSA-N 2 2 332.400 1.602 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000296135523 444207265 /nfs/dbraw/zinc/20/72/65/444207265.db2.gz DATOWURELBZUNX-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000296135523 444207267 /nfs/dbraw/zinc/20/72/67/444207267.db2.gz DATOWURELBZUNX-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295670320 444191195 /nfs/dbraw/zinc/19/11/95/444191195.db2.gz BHNOMTOIUBNUPF-OAHLLOKOSA-N 2 2 345.447 1.363 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295670320 444191196 /nfs/dbraw/zinc/19/11/96/444191196.db2.gz BHNOMTOIUBNUPF-OAHLLOKOSA-N 2 2 345.447 1.363 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328865163 444380448 /nfs/dbraw/zinc/38/04/48/444380448.db2.gz NFKVXCOSPXSYFL-ZIAGYGMSSA-N 2 2 328.420 1.898 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000328892124 444391123 /nfs/dbraw/zinc/39/11/23/444391123.db2.gz TXMWOSJQBOZMPI-HNNXBMFYSA-N 2 2 338.496 1.618 20 30 EDEDLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000328695627 444432522 /nfs/dbraw/zinc/43/25/22/444432522.db2.gz KMNRWWFPJBYBSQ-AWEZNQCLSA-N 2 2 348.491 1.512 20 30 EDEDLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000329004191 444442086 /nfs/dbraw/zinc/44/20/86/444442086.db2.gz YFMZSYYMDLALRZ-OWCLPIDISA-N 2 2 331.464 1.989 20 30 EDEDLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000329004191 444442089 /nfs/dbraw/zinc/44/20/89/444442089.db2.gz YFMZSYYMDLALRZ-OWCLPIDISA-N 2 2 331.464 1.989 20 30 EDEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000344272018 444873701 /nfs/dbraw/zinc/87/37/01/444873701.db2.gz HLLYLFKVRHFMRN-UHFFFAOYSA-N 2 2 332.423 1.730 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696656 445245201 /nfs/dbraw/zinc/24/52/01/445245201.db2.gz CALSBKWSWFZABK-WMZOPIPTSA-N 2 2 342.443 1.739 20 30 EDEDLP C=CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000357555612 445566231 /nfs/dbraw/zinc/56/62/31/445566231.db2.gz SXGVVXYPZKMFIG-UHFFFAOYSA-N 2 2 343.471 1.785 20 30 EDEDLP C=CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000357555612 445566236 /nfs/dbraw/zinc/56/62/36/445566236.db2.gz SXGVVXYPZKMFIG-UHFFFAOYSA-N 2 2 343.471 1.785 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000363492129 445830016 /nfs/dbraw/zinc/83/00/16/445830016.db2.gz YWEYUUJZKXDFRQ-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000363492129 445830019 /nfs/dbraw/zinc/83/00/19/445830019.db2.gz YWEYUUJZKXDFRQ-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000363492129 445830022 /nfs/dbraw/zinc/83/00/22/445830022.db2.gz YWEYUUJZKXDFRQ-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000363492129 445830027 /nfs/dbraw/zinc/83/00/27/445830027.db2.gz YWEYUUJZKXDFRQ-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242857 445798591 /nfs/dbraw/zinc/79/85/91/445798591.db2.gz AYVRUMSXBAJVIR-QZTJIDSGSA-N 2 2 344.459 1.517 20 30 EDEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350242857 445798596 /nfs/dbraw/zinc/79/85/96/445798596.db2.gz AYVRUMSXBAJVIR-QZTJIDSGSA-N 2 2 344.459 1.517 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364842772 445961372 /nfs/dbraw/zinc/96/13/72/445961372.db2.gz BATZPTPTFNJFDK-HKUYNNGSSA-N 2 2 337.508 1.842 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364842772 445961376 /nfs/dbraw/zinc/96/13/76/445961376.db2.gz BATZPTPTFNJFDK-HKUYNNGSSA-N 2 2 337.508 1.842 20 30 EDEDLP C#CCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000367472237 446550651 /nfs/dbraw/zinc/55/06/51/446550651.db2.gz GULQCHLFDMMQFD-LJQANCHMSA-N 2 2 327.472 1.910 20 30 EDEDLP C#CCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000367472237 446550659 /nfs/dbraw/zinc/55/06/59/446550659.db2.gz GULQCHLFDMMQFD-LJQANCHMSA-N 2 2 327.472 1.910 20 30 EDEDLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424188629 446862366 /nfs/dbraw/zinc/86/23/66/446862366.db2.gz YIAJWYHEZUYOKO-BZSNNMDCSA-N 2 2 344.459 1.538 20 30 EDEDLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424188629 446862373 /nfs/dbraw/zinc/86/23/73/446862373.db2.gz YIAJWYHEZUYOKO-BZSNNMDCSA-N 2 2 344.459 1.538 20 30 EDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421325150 447130226 /nfs/dbraw/zinc/13/02/26/447130226.db2.gz KXSVQSCOBKIHIP-KRWDZBQOSA-N 2 2 332.423 1.730 20 30 EDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421325150 447130235 /nfs/dbraw/zinc/13/02/35/447130235.db2.gz KXSVQSCOBKIHIP-KRWDZBQOSA-N 2 2 332.423 1.730 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455922603 447258294 /nfs/dbraw/zinc/25/82/94/447258294.db2.gz QZBCSTAFNIUMFA-UHFFFAOYSA-N 2 2 329.448 1.900 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000563012562 448281070 /nfs/dbraw/zinc/28/10/70/448281070.db2.gz UXYUWJHNRZZDBV-LSDHHAIUSA-N 2 2 326.400 1.363 20 30 EDEDLP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000563012562 448281077 /nfs/dbraw/zinc/28/10/77/448281077.db2.gz UXYUWJHNRZZDBV-LSDHHAIUSA-N 2 2 326.400 1.363 20 30 EDEDLP CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565175088 448357590 /nfs/dbraw/zinc/35/75/90/448357590.db2.gz YUJRBCGNLAMLKT-MRXNPFEDSA-N 2 2 330.432 1.739 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013196 448369807 /nfs/dbraw/zinc/36/98/07/448369807.db2.gz IGZBYUGTIULICK-RBUKOAKNSA-N 2 2 330.476 1.619 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013196 448369810 /nfs/dbraw/zinc/36/98/10/448369810.db2.gz IGZBYUGTIULICK-RBUKOAKNSA-N 2 2 330.476 1.619 20 30 EDEDLP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000566490964 448491415 /nfs/dbraw/zinc/49/14/15/448491415.db2.gz MHALFRJJDQOERM-HUUCEWRRSA-N 2 2 331.416 1.004 20 30 EDEDLP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000566490964 448491420 /nfs/dbraw/zinc/49/14/20/448491420.db2.gz MHALFRJJDQOERM-HUUCEWRRSA-N 2 2 331.416 1.004 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574312263 448841976 /nfs/dbraw/zinc/84/19/76/448841976.db2.gz MDJUWGKUDVAMCK-IBGZPJMESA-N 2 2 346.475 1.180 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574312263 448841986 /nfs/dbraw/zinc/84/19/86/448841986.db2.gz MDJUWGKUDVAMCK-IBGZPJMESA-N 2 2 346.475 1.180 20 30 EDEDLP C[NH+](C)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000569131957 448969318 /nfs/dbraw/zinc/96/93/18/448969318.db2.gz KGUYINUNEOFRSJ-UHFFFAOYSA-N 2 2 328.460 1.934 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180598 448983694 /nfs/dbraw/zinc/98/36/94/448983694.db2.gz REZBXBAMZMHPAX-HNNXBMFYSA-N 2 2 328.416 1.162 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180598 448983697 /nfs/dbraw/zinc/98/36/97/448983697.db2.gz REZBXBAMZMHPAX-HNNXBMFYSA-N 2 2 328.416 1.162 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000569555014 449041303 /nfs/dbraw/zinc/04/13/03/449041303.db2.gz ITEZQMHRDSMLHK-GOSISDBHSA-N 2 2 336.524 1.971 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000569555014 449041305 /nfs/dbraw/zinc/04/13/05/449041305.db2.gz ITEZQMHRDSMLHK-GOSISDBHSA-N 2 2 336.524 1.971 20 30 EDEDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590954093 449357831 /nfs/dbraw/zinc/35/78/31/449357831.db2.gz JXGVVCUZJLMWFR-UHFFFAOYSA-N 2 2 326.404 1.522 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCNC3=O)CC2)cc1 ZINC000590971741 449363223 /nfs/dbraw/zinc/36/32/23/449363223.db2.gz KCCJLSSHROBNGO-QGZVFWFLSA-N 2 2 326.444 1.638 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000594441187 449519769 /nfs/dbraw/zinc/51/97/69/449519769.db2.gz OODBTBNKHQBZPU-ZWKOTPCHSA-N 2 2 344.459 1.587 20 30 EDEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740949 449786611 /nfs/dbraw/zinc/78/66/11/449786611.db2.gz PMOOXFRSYVSBDJ-HNNXBMFYSA-N 2 2 329.448 1.771 20 30 EDEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740949 449786614 /nfs/dbraw/zinc/78/66/14/449786614.db2.gz PMOOXFRSYVSBDJ-HNNXBMFYSA-N 2 2 329.448 1.771 20 30 EDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602862699 449873475 /nfs/dbraw/zinc/87/34/75/449873475.db2.gz LTMMMJWERHHTRV-MRXNPFEDSA-N 2 2 328.460 1.967 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474282 450004056 /nfs/dbraw/zinc/00/40/56/450004056.db2.gz NBMMYMUPJUTCEF-UHFFFAOYSA-N 2 2 345.443 1.742 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599685735 450152572 /nfs/dbraw/zinc/15/25/72/450152572.db2.gz IVPVHBNKTGWZMC-MRXNPFEDSA-N 2 2 340.471 1.663 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599685735 450152580 /nfs/dbraw/zinc/15/25/80/450152580.db2.gz IVPVHBNKTGWZMC-MRXNPFEDSA-N 2 2 340.471 1.663 20 30 EDEDLP COCC[N@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266997150 536774977 /nfs/dbraw/zinc/77/49/77/536774977.db2.gz YFHSQMNHGSDYMD-UHFFFAOYSA-N 2 2 332.370 1.688 20 30 EDEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266997150 536774981 /nfs/dbraw/zinc/77/49/81/536774981.db2.gz YFHSQMNHGSDYMD-UHFFFAOYSA-N 2 2 332.370 1.688 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3ccccc3C#N)C2)CC1 ZINC000732779248 578727728 /nfs/dbraw/zinc/72/77/28/578727728.db2.gz BSMKDSLNARHCNJ-MJRGOJFPSA-N 2 2 338.455 1.856 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3ccccc3C#N)C2)CC1 ZINC000732779248 578727730 /nfs/dbraw/zinc/72/77/30/578727730.db2.gz BSMKDSLNARHCNJ-MJRGOJFPSA-N 2 2 338.455 1.856 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000751500219 579810604 /nfs/dbraw/zinc/81/06/04/579810604.db2.gz VFUQRGBGWDYIMF-PKOBYXMFSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000751500219 579810605 /nfs/dbraw/zinc/81/06/05/579810605.db2.gz VFUQRGBGWDYIMF-PKOBYXMFSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[N@@H+](CC)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754051529 579894972 /nfs/dbraw/zinc/89/49/72/579894972.db2.gz QWDPWQLCOTZGBM-GOSISDBHSA-N 2 2 331.460 1.133 20 30 EDEDLP C#CC[N@H+](CC)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754051529 579894973 /nfs/dbraw/zinc/89/49/73/579894973.db2.gz QWDPWQLCOTZGBM-GOSISDBHSA-N 2 2 331.460 1.133 20 30 EDEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cn3cccc(C#N)c3=O)CC2)CC1 ZINC000758241362 579978212 /nfs/dbraw/zinc/97/82/12/579978212.db2.gz UQUGWDYDFPWXBJ-UHFFFAOYSA-N 2 2 343.475 1.168 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CC1 ZINC000773468038 580338134 /nfs/dbraw/zinc/33/81/34/580338134.db2.gz BIVZJXKUXFFBRT-UHFFFAOYSA-N 2 2 345.447 1.017 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894639122 591375122 /nfs/dbraw/zinc/37/51/22/591375122.db2.gz KEWWHISBWXDQHY-UHFFFAOYSA-N 2 2 333.436 1.868 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894639122 591375128 /nfs/dbraw/zinc/37/51/28/591375128.db2.gz KEWWHISBWXDQHY-UHFFFAOYSA-N 2 2 333.436 1.868 20 30 EDEDLP N#CCc1cccc2c1CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933941 592386559 /nfs/dbraw/zinc/38/65/59/592386559.db2.gz BPSROVDTDDBKLC-KRWDZBQOSA-N 2 2 336.443 1.827 20 30 EDEDLP N#CCc1cccc2c1CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933941 592386564 /nfs/dbraw/zinc/38/65/64/592386564.db2.gz BPSROVDTDDBKLC-KRWDZBQOSA-N 2 2 336.443 1.827 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905623380 592588624 /nfs/dbraw/zinc/58/86/24/592588624.db2.gz IUFYKDONQMIZMG-QZTJIDSGSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905623380 592588626 /nfs/dbraw/zinc/58/86/26/592588626.db2.gz IUFYKDONQMIZMG-QZTJIDSGSA-N 2 2 345.443 1.141 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000730276853 593108476 /nfs/dbraw/zinc/10/84/76/593108476.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000730276853 593108477 /nfs/dbraw/zinc/10/84/77/593108477.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000730276853 593108478 /nfs/dbraw/zinc/10/84/78/593108478.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000730276853 593108479 /nfs/dbraw/zinc/10/84/79/593108479.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 2 325.456 1.647 20 30 EDEDLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000830553726 594421256 /nfs/dbraw/zinc/42/12/56/594421256.db2.gz LHHQFPBPBTXPFL-GOSISDBHSA-N 2 2 343.475 1.859 20 30 EDEDLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000830553726 594421259 /nfs/dbraw/zinc/42/12/59/594421259.db2.gz LHHQFPBPBTXPFL-GOSISDBHSA-N 2 2 343.475 1.859 20 30 EDEDLP C[C@H](c1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1)[NH+]1CCOCC1 ZINC000841106395 594851649 /nfs/dbraw/zinc/85/16/49/594851649.db2.gz GWNZHNBOVIAGLU-UKPHBRMFSA-N 2 2 343.431 1.313 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1NC1CC[NH+](CC(=O)NC)CC1 ZINC000853153270 595683184 /nfs/dbraw/zinc/68/31/84/595683184.db2.gz KHQGQPIALIISFT-UHFFFAOYSA-N 2 2 330.432 1.496 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000852587640 596206225 /nfs/dbraw/zinc/20/62/25/596206225.db2.gz ZUJJUOPANONONQ-IRXDYDNUSA-N 2 2 347.503 1.480 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000862860383 596433323 /nfs/dbraw/zinc/43/33/23/596433323.db2.gz ZVXCJYNZISNVNV-UHFFFAOYSA-N 2 2 343.475 1.782 20 30 EDEDLP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000873204098 597226212 /nfs/dbraw/zinc/22/62/12/597226212.db2.gz YNRCJOQHKQKMLB-CYBMUJFWSA-N 2 2 326.487 1.569 20 30 EDEDLP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000873204099 597226300 /nfs/dbraw/zinc/22/63/00/597226300.db2.gz YNRCJOQHKQKMLB-ZDUSSCGKSA-N 2 2 326.487 1.569 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571431 597967716 /nfs/dbraw/zinc/96/77/16/597967716.db2.gz PDONEPXGSRDSDW-QGZVFWFLSA-N 2 2 325.416 1.976 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000884200575 598026571 /nfs/dbraw/zinc/02/65/71/598026571.db2.gz FUQHHXFHRMTKBI-KKUMJFAQSA-N 2 2 339.480 1.306 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001031684689 697512211 /nfs/dbraw/zinc/51/22/11/697512211.db2.gz YRTNDSSMFRKDNK-RBUKOAKNSA-N 2 2 340.471 1.837 20 30 EDEDLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001031684689 697512213 /nfs/dbraw/zinc/51/22/13/697512213.db2.gz YRTNDSSMFRKDNK-RBUKOAKNSA-N 2 2 340.471 1.837 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850336 700929684 /nfs/dbraw/zinc/92/96/84/700929684.db2.gz FJCRDURNTYVGNT-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850336 700929685 /nfs/dbraw/zinc/92/96/85/700929685.db2.gz FJCRDURNTYVGNT-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851103 700951940 /nfs/dbraw/zinc/95/19/40/700951940.db2.gz RMSZOJNDODTWLL-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851103 700951941 /nfs/dbraw/zinc/95/19/41/700951941.db2.gz RMSZOJNDODTWLL-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995111653 701006257 /nfs/dbraw/zinc/00/62/57/701006257.db2.gz BPQOAQVIRKZBBJ-SJORKVTESA-N 2 2 337.427 1.899 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997189128 703479005 /nfs/dbraw/zinc/47/90/05/703479005.db2.gz WDNCCPCPXVETAF-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085320 704148846 /nfs/dbraw/zinc/14/88/46/704148846.db2.gz RZEWFIOCRFDZSB-IXDOHACOSA-N 2 2 326.444 1.320 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085320 704148850 /nfs/dbraw/zinc/14/88/50/704148850.db2.gz RZEWFIOCRFDZSB-IXDOHACOSA-N 2 2 326.444 1.320 20 30 EDEDLP N#Cc1ccccc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998297883 705701299 /nfs/dbraw/zinc/70/12/99/705701299.db2.gz PQBRURHZZTWHDV-UHFFFAOYSA-N 2 2 337.427 1.783 20 30 EDEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000998787563 706228196 /nfs/dbraw/zinc/22/81/96/706228196.db2.gz JADVLQCUVNLONU-RDHHWEPZSA-N 2 2 328.460 1.919 20 30 EDEDLP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365318 707659542 /nfs/dbraw/zinc/65/95/42/707659542.db2.gz MGJVWGAVDFARTK-ROUUACIJSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365318 707659543 /nfs/dbraw/zinc/65/95/43/707659543.db2.gz MGJVWGAVDFARTK-ROUUACIJSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365318 707659546 /nfs/dbraw/zinc/65/95/46/707659546.db2.gz MGJVWGAVDFARTK-ROUUACIJSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365318 707659548 /nfs/dbraw/zinc/65/95/48/707659548.db2.gz MGJVWGAVDFARTK-ROUUACIJSA-N 2 2 335.492 1.739 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579044 708257190 /nfs/dbraw/zinc/25/71/90/708257190.db2.gz DIDYRFGDNKWNKM-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033579044 708257193 /nfs/dbraw/zinc/25/71/93/708257193.db2.gz DIDYRFGDNKWNKM-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=C(Br)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525889 710176928 /nfs/dbraw/zinc/17/69/28/710176928.db2.gz QZCDVMXIBNYCBT-ZIAGYGMSSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525889 710176929 /nfs/dbraw/zinc/17/69/29/710176929.db2.gz QZCDVMXIBNYCBT-ZIAGYGMSSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525889 710176930 /nfs/dbraw/zinc/17/69/30/710176930.db2.gz QZCDVMXIBNYCBT-ZIAGYGMSSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525889 710176931 /nfs/dbraw/zinc/17/69/31/710176931.db2.gz QZCDVMXIBNYCBT-ZIAGYGMSSA-N 2 2 344.297 1.817 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610589 712064273 /nfs/dbraw/zinc/06/42/73/712064273.db2.gz SEDSHVXKMRDFAG-GOSISDBHSA-N 2 2 328.460 1.987 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610589 712064274 /nfs/dbraw/zinc/06/42/74/712064274.db2.gz SEDSHVXKMRDFAG-GOSISDBHSA-N 2 2 328.460 1.987 20 30 EDEDLP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)([NH+](C)C)C1 ZINC000329444519 539437589 /nfs/dbraw/zinc/43/75/89/539437589.db2.gz LPGSWXAXPYZKMP-RYRKJORJSA-N 2 2 339.528 1.246 20 30 EDEDLP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)([NH+](C)C)C1 ZINC000329444519 539437595 /nfs/dbraw/zinc/43/75/95/539437595.db2.gz LPGSWXAXPYZKMP-RYRKJORJSA-N 2 2 339.528 1.246 20 30 EDEDLP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000564829410 306365864 /nfs/dbraw/zinc/36/58/64/306365864.db2.gz CELACHZYSDMOOE-QGZVFWFLSA-N 2 2 340.427 1.260 20 30 EDEDLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000129415856 223054100 /nfs/dbraw/zinc/05/41/00/223054100.db2.gz FCIWFVIMCCNJFD-CJNGLKHVSA-N 2 2 330.457 1.701 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccsc3)CC2)CC1 ZINC000491045151 255116453 /nfs/dbraw/zinc/11/64/53/255116453.db2.gz JNXYMBQLRIHXNE-UHFFFAOYSA-N 2 2 331.485 1.705 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000333835493 141391074 /nfs/dbraw/zinc/39/10/74/141391074.db2.gz UFHVTLFFEMXUOK-UHFFFAOYSA-N 2 2 327.432 1.137 20 30 EDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654911 151104013 /nfs/dbraw/zinc/10/40/13/151104013.db2.gz XVPTXQJWZUNEBL-CQSZACIVSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654911 151104015 /nfs/dbraw/zinc/10/40/15/151104015.db2.gz XVPTXQJWZUNEBL-CQSZACIVSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374271468 157221561 /nfs/dbraw/zinc/22/15/61/157221561.db2.gz UARRCSVOCJNMOT-OAHLLOKOSA-N 2 2 326.444 1.799 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374271468 157221565 /nfs/dbraw/zinc/22/15/65/157221565.db2.gz UARRCSVOCJNMOT-OAHLLOKOSA-N 2 2 326.444 1.799 20 30 EDEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301662612 266110084 /nfs/dbraw/zinc/11/00/84/266110084.db2.gz KAOXIVMECJOEQY-UHFFFAOYSA-N 2 2 343.475 1.951 20 30 EDEDLP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301662612 266110090 /nfs/dbraw/zinc/11/00/90/266110090.db2.gz KAOXIVMECJOEQY-UHFFFAOYSA-N 2 2 343.475 1.951 20 30 EDEDLP CCN1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000449523415 269657488 /nfs/dbraw/zinc/65/74/88/269657488.db2.gz YOULQDPNLKJJAL-SFHVURJKSA-N 2 2 326.444 1.733 20 30 EDEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000093299785 273775164 /nfs/dbraw/zinc/77/51/64/273775164.db2.gz KMSAMVBQYIUGCO-UHFFFAOYSA-N 2 2 325.416 1.875 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051924658 441428951 /nfs/dbraw/zinc/42/89/51/441428951.db2.gz DKVFPNLMQNQKDC-SFHVURJKSA-N 2 2 329.444 1.858 20 30 EDEDLP NC(=[NH+]OCc1ccon1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000077239478 441741448 /nfs/dbraw/zinc/74/14/48/441741448.db2.gz ZYTDPUNJDYSGKR-UHFFFAOYSA-N 2 2 330.388 1.468 20 30 EDEDLP NC(=[NH+]OCC(=O)N1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000122053817 441833010 /nfs/dbraw/zinc/83/30/10/441833010.db2.gz NGWSUUKKPGQTKI-UHFFFAOYSA-N 2 2 344.459 1.932 20 30 EDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159779527 441836405 /nfs/dbraw/zinc/83/64/05/441836405.db2.gz ZKFZWJWINNTWJW-UNEWFSDZSA-N 2 2 343.406 1.996 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000378591715 447444384 /nfs/dbraw/zinc/44/43/84/447444384.db2.gz IXUXLOCNUXNRIB-MRXNPFEDSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000378591715 447444389 /nfs/dbraw/zinc/44/43/89/447444389.db2.gz IXUXLOCNUXNRIB-MRXNPFEDSA-N 2 2 336.480 1.085 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153973766 442314128 /nfs/dbraw/zinc/31/41/28/442314128.db2.gz UUUFTLUNJVRTLU-KSZLIROESA-N 2 2 349.523 1.237 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153973766 442314131 /nfs/dbraw/zinc/31/41/31/442314131.db2.gz UUUFTLUNJVRTLU-KSZLIROESA-N 2 2 349.523 1.237 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000154029200 442317535 /nfs/dbraw/zinc/31/75/35/442317535.db2.gz IGMUBNLQHKKCRP-IAGOWNOFSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000154029200 442317538 /nfs/dbraw/zinc/31/75/38/442317538.db2.gz IGMUBNLQHKKCRP-IAGOWNOFSA-N 2 2 333.476 1.043 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(CC#N)c1 ZINC000171981806 442396147 /nfs/dbraw/zinc/39/61/47/442396147.db2.gz RSMTXHXXYNIENU-UHFFFAOYSA-N 2 2 328.460 1.851 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(CC#N)c1 ZINC000171981806 442396150 /nfs/dbraw/zinc/39/61/50/442396150.db2.gz RSMTXHXXYNIENU-UHFFFAOYSA-N 2 2 328.460 1.851 20 30 EDEDLP Cn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191536357 442460955 /nfs/dbraw/zinc/46/09/55/442460955.db2.gz DTTGMGZOVBSSCB-HXUWFJFHSA-N 2 2 338.455 1.966 20 30 EDEDLP Cn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191536357 442460959 /nfs/dbraw/zinc/46/09/59/442460959.db2.gz DTTGMGZOVBSSCB-HXUWFJFHSA-N 2 2 338.455 1.966 20 30 EDEDLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000191536357 442460964 /nfs/dbraw/zinc/46/09/64/442460964.db2.gz DTTGMGZOVBSSCB-HXUWFJFHSA-N 2 2 338.455 1.966 20 30 EDEDLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000191536357 442460967 /nfs/dbraw/zinc/46/09/67/442460967.db2.gz DTTGMGZOVBSSCB-HXUWFJFHSA-N 2 2 338.455 1.966 20 30 EDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000192787560 442686603 /nfs/dbraw/zinc/68/66/03/442686603.db2.gz MZDJBQLEMGGGMG-SJORKVTESA-N 2 2 341.459 1.792 20 30 EDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCCO1 ZINC000262518041 443198801 /nfs/dbraw/zinc/19/88/01/443198801.db2.gz DAVDUYQIRXOLDV-HIFRSBDPSA-N 2 2 336.505 1.839 20 30 EDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC[C@@H]1CCCO1 ZINC000262518041 443198805 /nfs/dbraw/zinc/19/88/05/443198805.db2.gz DAVDUYQIRXOLDV-HIFRSBDPSA-N 2 2 336.505 1.839 20 30 EDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000562956997 321083312 /nfs/dbraw/zinc/08/33/12/321083312.db2.gz HWRCHNRSNKAZDP-FHLIZLRMSA-N 2 2 342.443 1.016 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000321947241 444337976 /nfs/dbraw/zinc/33/79/76/444337976.db2.gz NLDIJORPFABDGZ-JKSUJKDBSA-N 2 2 333.457 1.548 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000321947241 444337977 /nfs/dbraw/zinc/33/79/77/444337977.db2.gz NLDIJORPFABDGZ-JKSUJKDBSA-N 2 2 333.457 1.548 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000328882898 444387078 /nfs/dbraw/zinc/38/70/78/444387078.db2.gz XLCBLXQAJOBHMR-SJLPKXTDSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000328882898 444387082 /nfs/dbraw/zinc/38/70/82/444387082.db2.gz XLCBLXQAJOBHMR-SJLPKXTDSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000328882898 444387084 /nfs/dbraw/zinc/38/70/84/444387084.db2.gz XLCBLXQAJOBHMR-SJLPKXTDSA-N 2 2 336.480 1.372 20 30 EDEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000328882898 444387088 /nfs/dbraw/zinc/38/70/88/444387088.db2.gz XLCBLXQAJOBHMR-SJLPKXTDSA-N 2 2 336.480 1.372 20 30 EDEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329136727 444481128 /nfs/dbraw/zinc/48/11/28/444481128.db2.gz CYGKGMCVFZKDHF-CABCVRRESA-N 2 2 334.468 1.139 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752913 444499377 /nfs/dbraw/zinc/49/93/77/444499377.db2.gz KFXDUNMTFHUBCQ-MAUKXSAKSA-N 2 2 326.444 1.400 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340752913 444499380 /nfs/dbraw/zinc/49/93/80/444499380.db2.gz KFXDUNMTFHUBCQ-MAUKXSAKSA-N 2 2 326.444 1.400 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000581007479 322123240 /nfs/dbraw/zinc/12/32/40/322123240.db2.gz KWMVMJZIJLDCBW-UHFFFAOYSA-N 2 2 344.440 1.655 20 30 EDEDLP Cn1cc[nH+]c1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000329855854 444742430 /nfs/dbraw/zinc/74/24/30/444742430.db2.gz UIRXLGIMYVPUFD-UHFFFAOYSA-N 2 2 348.495 1.184 20 30 EDEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330255673 444909656 /nfs/dbraw/zinc/90/96/56/444909656.db2.gz BKQBEQAMIYBHLJ-IRXDYDNUSA-N 2 2 339.480 1.433 20 30 EDEDLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330255673 444909661 /nfs/dbraw/zinc/90/96/61/444909661.db2.gz BKQBEQAMIYBHLJ-IRXDYDNUSA-N 2 2 339.480 1.433 20 30 EDEDLP CC[C@@]1(O)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000330286111 444923486 /nfs/dbraw/zinc/92/34/86/444923486.db2.gz ZOCPNJLVFYBTQA-GOSISDBHSA-N 2 2 338.496 1.306 20 30 EDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330446476 444984365 /nfs/dbraw/zinc/98/43/65/444984365.db2.gz RIXRLBKMAIRWLJ-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330446476 444984369 /nfs/dbraw/zinc/98/43/69/444984369.db2.gz RIXRLBKMAIRWLJ-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330446476 444984377 /nfs/dbraw/zinc/98/43/77/444984377.db2.gz RIXRLBKMAIRWLJ-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330446476 444984383 /nfs/dbraw/zinc/98/43/83/444984383.db2.gz RIXRLBKMAIRWLJ-AWEZNQCLSA-N 2 2 337.468 1.273 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420958473 446929781 /nfs/dbraw/zinc/92/97/81/446929781.db2.gz DVESEQJUXAGLHN-LJQANCHMSA-N 2 2 343.471 1.738 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420958473 446929783 /nfs/dbraw/zinc/92/97/83/446929783.db2.gz DVESEQJUXAGLHN-LJQANCHMSA-N 2 2 343.471 1.738 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cc1 ZINC000368591694 446963233 /nfs/dbraw/zinc/96/32/33/446963233.db2.gz IMEPYRVKTSKQQQ-GOSISDBHSA-N 2 2 349.438 1.977 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000490854254 447900126 /nfs/dbraw/zinc/90/01/26/447900126.db2.gz YYSCSNUZPOOHSW-KRWDZBQOSA-N 2 2 343.471 1.335 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000490854254 447900129 /nfs/dbraw/zinc/90/01/29/447900129.db2.gz YYSCSNUZPOOHSW-KRWDZBQOSA-N 2 2 343.471 1.335 20 30 EDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000571189337 448121871 /nfs/dbraw/zinc/12/18/71/448121871.db2.gz PBKYCEUBZVICKA-JZXOWHBKSA-N 2 2 347.459 1.387 20 30 EDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000571189337 448121873 /nfs/dbraw/zinc/12/18/73/448121873.db2.gz PBKYCEUBZVICKA-JZXOWHBKSA-N 2 2 347.459 1.387 20 30 EDEDLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C[NH+](C)C ZINC000566557239 448506200 /nfs/dbraw/zinc/50/62/00/448506200.db2.gz SDQWFLQASRQBFP-ZDUSSCGKSA-N 2 2 338.477 1.293 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000572993595 448517444 /nfs/dbraw/zinc/51/74/44/448517444.db2.gz HEAOWHSOSVHFJX-AWEZNQCLSA-N 2 2 330.413 1.133 20 30 EDEDLP C[C@@H]1CN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000538396073 448585162 /nfs/dbraw/zinc/58/51/62/448585162.db2.gz OSZJVAREDIREMD-QGZVFWFLSA-N 2 2 342.487 1.833 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2cc(C#N)ccn2)([NH+]2CCCCC2)CC1 ZINC000567501022 448704997 /nfs/dbraw/zinc/70/49/97/448704997.db2.gz JWXYYQHNDVWAKC-UHFFFAOYSA-N 2 2 341.459 1.633 20 30 EDEDLP N#CCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000542881111 448729639 /nfs/dbraw/zinc/72/96/39/448729639.db2.gz YHLFAPQDPAHBNR-UHFFFAOYSA-N 2 2 340.471 1.956 20 30 EDEDLP N#CCC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000519555801 448785735 /nfs/dbraw/zinc/78/57/35/448785735.db2.gz ZRRZAELBNSHMGM-UHFFFAOYSA-N 2 2 342.443 1.077 20 30 EDEDLP CCc1nc(C#N)cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000596100862 449362190 /nfs/dbraw/zinc/36/21/90/449362190.db2.gz CFJMPHDAZASDQN-UHFFFAOYSA-N 2 2 328.464 1.881 20 30 EDEDLP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000600715602 449513608 /nfs/dbraw/zinc/51/36/08/449513608.db2.gz HIMRZDJRUGRNMS-SFHVURJKSA-N 2 2 329.444 1.663 20 30 EDEDLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCSC1 ZINC000600725411 449519530 /nfs/dbraw/zinc/51/95/30/449519530.db2.gz BRQLPXHPTQUCSE-HOCLYGCPSA-N 2 2 327.494 1.085 20 30 EDEDLP C[C@@H]1C[N@H+](CCC[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602853860 449860757 /nfs/dbraw/zinc/86/07/57/449860757.db2.gz MKWPEYNIXIHDFJ-CADBVGFASA-N 2 2 346.523 1.213 20 30 EDEDLP C[C@@H]1C[N@@H+](CCC[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602853860 449860763 /nfs/dbraw/zinc/86/07/63/449860763.db2.gz MKWPEYNIXIHDFJ-CADBVGFASA-N 2 2 346.523 1.213 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973599 449974749 /nfs/dbraw/zinc/97/47/49/449974749.db2.gz BZUWWGDAAVXNTJ-ZACQAIPSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973599 449974758 /nfs/dbraw/zinc/97/47/58/449974758.db2.gz BZUWWGDAAVXNTJ-ZACQAIPSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973599 449974765 /nfs/dbraw/zinc/97/47/65/449974765.db2.gz BZUWWGDAAVXNTJ-ZACQAIPSSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973599 449974773 /nfs/dbraw/zinc/97/47/73/449974773.db2.gz BZUWWGDAAVXNTJ-ZACQAIPSSA-N 2 2 336.480 1.083 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@](C)(C#N)C3)CC2)CC1 ZINC000595489476 450180211 /nfs/dbraw/zinc/18/02/11/450180211.db2.gz SNHLVGSQTWPIGE-SFHVURJKSA-N 2 2 333.480 1.490 20 30 EDEDLP CC1(C#N)CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000603426657 450297403 /nfs/dbraw/zinc/29/74/03/450297403.db2.gz DBIAKPFCRLIWPX-XBMUEBEBSA-N 2 2 334.508 1.845 20 30 EDEDLP C=CC[C@@]1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCC[NH2+]1 ZINC000638585208 451590338 /nfs/dbraw/zinc/59/03/38/451590338.db2.gz UGNXZZGTZJTGNW-SFHVURJKSA-N 2 2 331.464 2.135 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662682172 453402641 /nfs/dbraw/zinc/40/26/41/453402641.db2.gz HKUAAHDQQYEMKC-QUCCMNQESA-N 2 2 343.471 1.874 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000183962700 534084404 /nfs/dbraw/zinc/08/44/04/534084404.db2.gz BMHUZDMXHDCXOW-YJBOKZPZSA-N 2 2 326.444 1.858 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000183962700 534084408 /nfs/dbraw/zinc/08/44/08/534084408.db2.gz BMHUZDMXHDCXOW-YJBOKZPZSA-N 2 2 326.444 1.858 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000112731261 528358645 /nfs/dbraw/zinc/35/86/45/528358645.db2.gz AUWYYRMXQVXROQ-HDICACEKSA-N 2 2 349.523 1.239 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000112731261 528358647 /nfs/dbraw/zinc/35/86/47/528358647.db2.gz AUWYYRMXQVXROQ-HDICACEKSA-N 2 2 349.523 1.239 20 30 EDEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352854577 536410563 /nfs/dbraw/zinc/41/05/63/536410563.db2.gz QSJOXROOBCKUNW-AWEZNQCLSA-N 2 2 326.366 1.912 20 30 EDEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352854577 536410566 /nfs/dbraw/zinc/41/05/66/536410566.db2.gz QSJOXROOBCKUNW-AWEZNQCLSA-N 2 2 326.366 1.912 20 30 EDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000763950708 580109070 /nfs/dbraw/zinc/10/90/70/580109070.db2.gz YAUDTOLFUGAGJE-UHFFFAOYSA-N 2 2 325.456 1.737 20 30 EDEDLP C#CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000763950708 580109071 /nfs/dbraw/zinc/10/90/71/580109071.db2.gz YAUDTOLFUGAGJE-UHFFFAOYSA-N 2 2 325.456 1.737 20 30 EDEDLP NC(=[NH+]OCc1ccccn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767546682 580192581 /nfs/dbraw/zinc/19/25/81/580192581.db2.gz FSORJCRZPWBLPD-UHFFFAOYSA-N 2 2 326.400 1.751 20 30 EDEDLP Cc1nnc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1C1CC1 ZINC000774664160 580369462 /nfs/dbraw/zinc/36/94/62/580369462.db2.gz QEQASBSRAVDOFY-UHFFFAOYSA-N 2 2 328.420 1.820 20 30 EDEDLP CC(C[NH+]1Cc2ccccc2C1)=NNC(=S)NCCC[NH+](C)C ZINC000792633783 580824155 /nfs/dbraw/zinc/82/41/55/580824155.db2.gz QRNKGOMQFFJNJI-UHFFFAOYSA-N 2 2 333.505 1.794 20 30 EDEDLP N#Cc1ccncc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000795050711 580911312 /nfs/dbraw/zinc/91/13/12/580911312.db2.gz NLGKKCQJRLLVJF-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP C(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCOCC2)s1 ZINC000799488946 581029370 /nfs/dbraw/zinc/02/93/70/581029370.db2.gz XPVCKASAMWIZNI-UHFFFAOYSA-N 2 2 338.477 1.231 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900013642 591864969 /nfs/dbraw/zinc/86/49/69/591864969.db2.gz MXYYNPRNGSUICL-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900013642 591864973 /nfs/dbraw/zinc/86/49/73/591864973.db2.gz MXYYNPRNGSUICL-GOSISDBHSA-N 2 2 331.460 1.512 20 30 EDEDLP C[NH+]1CCC([NH2+]Cc2cn(CCOc3ccc(C#N)cc3)nn2)CC1 ZINC000900505374 592039568 /nfs/dbraw/zinc/03/95/68/592039568.db2.gz DELNILXKMHLDRK-UHFFFAOYSA-N 2 2 340.431 1.413 20 30 EDEDLP Cn1c[nH+]cc1/C=C1\CN(CC2CC2)C/C(=C/c2c[nH+]cn2C)C1=O ZINC000901468027 592371646 /nfs/dbraw/zinc/37/16/46/592371646.db2.gz WGFHZBZWTILNLH-OPCYYNASSA-N 2 2 337.427 1.915 20 30 EDEDLP Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000912386396 593090035 /nfs/dbraw/zinc/09/00/35/593090035.db2.gz DIHJSDHVQAXWQK-ZHACJKMWSA-N 2 2 331.460 1.734 20 30 EDEDLP Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000912386396 593090036 /nfs/dbraw/zinc/09/00/36/593090036.db2.gz DIHJSDHVQAXWQK-ZHACJKMWSA-N 2 2 331.460 1.734 20 30 EDEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000826791805 594576855 /nfs/dbraw/zinc/57/68/55/594576855.db2.gz YQYMWVMAPQJMGQ-GOSISDBHSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000836256738 594943729 /nfs/dbraw/zinc/94/37/29/594943729.db2.gz OFRYAWGYBCTCTA-UHFFFAOYSA-N 2 2 325.416 1.627 20 30 EDEDLP Cc1nc([C@@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000842024640 595004676 /nfs/dbraw/zinc/00/46/76/595004676.db2.gz PJZMTHMPZMHUOQ-GFCCVEGCSA-N 2 2 345.403 1.608 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939858578 699997554 /nfs/dbraw/zinc/99/75/54/699997554.db2.gz YZSZLXOEJJIZKD-JQWIXIFHSA-N 2 2 327.226 1.228 20 30 EDEDLP CCC[NH+]1CCN(c2ccccc2C=[NH+]N2CC[NH+](C)CC2)CC1 ZINC000915933620 696605202 /nfs/dbraw/zinc/60/52/02/696605202.db2.gz FSAIGZOIWJCLKP-UHFFFAOYSA-N 3 2 329.492 1.800 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177717 697872740 /nfs/dbraw/zinc/87/27/40/697872740.db2.gz PCPJDRQRFUBWQL-RDTXWAMCSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943177717 697872744 /nfs/dbraw/zinc/87/27/44/697872744.db2.gz PCPJDRQRFUBWQL-RDTXWAMCSA-N 2 2 337.427 1.851 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031740850 698312589 /nfs/dbraw/zinc/31/25/89/698312589.db2.gz MDWCJTAPEBMVRV-IBGZPJMESA-N 2 2 336.439 1.204 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031740850 698312590 /nfs/dbraw/zinc/31/25/90/698312590.db2.gz MDWCJTAPEBMVRV-IBGZPJMESA-N 2 2 336.439 1.204 20 30 EDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809036 701201185 /nfs/dbraw/zinc/20/11/85/701201185.db2.gz RHWVPWMUKSZTHI-MJGOQNOKSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809036 701201187 /nfs/dbraw/zinc/20/11/87/701201187.db2.gz RHWVPWMUKSZTHI-MJGOQNOKSA-N 2 2 336.439 1.761 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944119936 702284161 /nfs/dbraw/zinc/28/41/61/702284161.db2.gz CKQWSXDTQLFBSL-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944119936 702284163 /nfs/dbraw/zinc/28/41/63/702284163.db2.gz CKQWSXDTQLFBSL-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094410 704176701 /nfs/dbraw/zinc/17/67/01/704176701.db2.gz HJWAWHOWWYTLIL-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033094410 704176703 /nfs/dbraw/zinc/17/67/03/704176703.db2.gz HJWAWHOWWYTLIL-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033094410 704176704 /nfs/dbraw/zinc/17/67/04/704176704.db2.gz HJWAWHOWWYTLIL-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033094410 704176705 /nfs/dbraw/zinc/17/67/05/704176705.db2.gz HJWAWHOWWYTLIL-YOEHRIQHSA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000948647376 705403449 /nfs/dbraw/zinc/40/34/49/705403449.db2.gz HKQAXMIYWCRQQY-MOPGFXCFSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000948647376 705403451 /nfs/dbraw/zinc/40/34/51/705403451.db2.gz HKQAXMIYWCRQQY-MOPGFXCFSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000948647376 705403454 /nfs/dbraw/zinc/40/34/54/705403454.db2.gz HKQAXMIYWCRQQY-MOPGFXCFSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CCCC)CC1 ZINC000948647376 705403457 /nfs/dbraw/zinc/40/34/57/705403457.db2.gz HKQAXMIYWCRQQY-MOPGFXCFSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000999398145 706892810 /nfs/dbraw/zinc/89/28/10/706892810.db2.gz OBVIHINYQPYSAD-GJZGRUSLSA-N 2 2 332.473 1.321 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000999398145 706892814 /nfs/dbraw/zinc/89/28/14/706892814.db2.gz OBVIHINYQPYSAD-GJZGRUSLSA-N 2 2 332.473 1.321 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786889 707336109 /nfs/dbraw/zinc/33/61/09/707336109.db2.gz USYNOXNUOUIDKH-YYIAUSFCSA-N 2 2 328.460 1.880 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786889 707336111 /nfs/dbraw/zinc/33/61/11/707336111.db2.gz USYNOXNUOUIDKH-YYIAUSFCSA-N 2 2 328.460 1.880 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001000540502 708042218 /nfs/dbraw/zinc/04/22/18/708042218.db2.gz FLAASZFFMGMZIG-LBPRGKRZSA-N 2 2 329.429 1.666 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001034712173 710870667 /nfs/dbraw/zinc/87/06/67/710870667.db2.gz AZZMKVWABCELBB-BQFCYCMXSA-N 2 2 333.476 1.280 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001034712173 710870671 /nfs/dbraw/zinc/87/06/71/710870671.db2.gz AZZMKVWABCELBB-BQFCYCMXSA-N 2 2 333.476 1.280 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965977 711020426 /nfs/dbraw/zinc/02/04/26/711020426.db2.gz AXLHPOKWXHPPOK-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965977 711020431 /nfs/dbraw/zinc/02/04/31/711020431.db2.gz AXLHPOKWXHPPOK-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965977 711020437 /nfs/dbraw/zinc/02/04/37/711020437.db2.gz AXLHPOKWXHPPOK-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965977 711020444 /nfs/dbraw/zinc/02/04/44/711020444.db2.gz AXLHPOKWXHPPOK-FUHWJXTLSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032967559 711028374 /nfs/dbraw/zinc/02/83/74/711028374.db2.gz ITGCVEULCRCVGB-ROUUACIJSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032967559 711028375 /nfs/dbraw/zinc/02/83/75/711028375.db2.gz ITGCVEULCRCVGB-ROUUACIJSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967559 711028380 /nfs/dbraw/zinc/02/83/80/711028380.db2.gz ITGCVEULCRCVGB-ROUUACIJSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967559 711028385 /nfs/dbraw/zinc/02/83/85/711028385.db2.gz ITGCVEULCRCVGB-ROUUACIJSA-N 2 2 326.444 1.685 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001004191111 711636741 /nfs/dbraw/zinc/63/67/41/711636741.db2.gz YZWAZLKSGBIPKQ-UHFFFAOYSA-N 2 2 331.485 1.710 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001004191111 711636742 /nfs/dbraw/zinc/63/67/42/711636742.db2.gz YZWAZLKSGBIPKQ-UHFFFAOYSA-N 2 2 331.485 1.710 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333580040 539635503 /nfs/dbraw/zinc/63/55/03/539635503.db2.gz REFRTCCZCRRYRM-IBGZPJMESA-N 2 2 332.492 1.945 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333580040 539635507 /nfs/dbraw/zinc/63/55/07/539635507.db2.gz REFRTCCZCRRYRM-IBGZPJMESA-N 2 2 332.492 1.945 20 30 EDEDLP CN(C(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000101540816 237037265 /nfs/dbraw/zinc/03/72/65/237037265.db2.gz HDDKUAGPVKYJHV-UHFFFAOYSA-N 2 2 344.459 1.930 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000246578731 249310628 /nfs/dbraw/zinc/31/06/28/249310628.db2.gz CLCYXDCHXVACLW-KSSFIOAISA-N 2 2 329.448 1.483 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000246578731 249310632 /nfs/dbraw/zinc/31/06/32/249310632.db2.gz CLCYXDCHXVACLW-KSSFIOAISA-N 2 2 329.448 1.483 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246578724 249310668 /nfs/dbraw/zinc/31/06/68/249310668.db2.gz CLCYXDCHXVACLW-KBXCAEBGSA-N 2 2 329.448 1.483 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246578724 249310670 /nfs/dbraw/zinc/31/06/70/249310670.db2.gz CLCYXDCHXVACLW-KBXCAEBGSA-N 2 2 329.448 1.483 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424164239 252151003 /nfs/dbraw/zinc/15/10/03/252151003.db2.gz YUGNVMXUGJTBNL-MRXNPFEDSA-N 2 2 343.431 1.034 20 30 EDEDLP C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)CC1 ZINC000490760344 255105519 /nfs/dbraw/zinc/10/55/19/255105519.db2.gz LDKVKISUIRFFOS-UHFFFAOYSA-N 2 2 348.834 1.158 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)CC1 ZINC000490760344 255105520 /nfs/dbraw/zinc/10/55/20/255105520.db2.gz LDKVKISUIRFFOS-UHFFFAOYSA-N 2 2 348.834 1.158 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944704 306009593 /nfs/dbraw/zinc/00/95/93/306009593.db2.gz QDONONYDCWGMAZ-KBPBESRZSA-N 2 2 341.440 1.948 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944704 306009594 /nfs/dbraw/zinc/00/95/94/306009594.db2.gz QDONONYDCWGMAZ-KBPBESRZSA-N 2 2 341.440 1.948 20 30 EDEDLP C=CC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000186319341 442511510 /nfs/dbraw/zinc/51/15/10/442511510.db2.gz RRPZEVZYBPICHY-MRXNPFEDSA-N 2 2 338.496 1.173 20 30 EDEDLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000189392381 442938954 /nfs/dbraw/zinc/93/89/54/442938954.db2.gz ATWDXHOULPSLFC-OAHLLOKOSA-N 2 2 328.460 1.979 20 30 EDEDLP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261951578 443175091 /nfs/dbraw/zinc/17/50/91/443175091.db2.gz HODNAHDMJRPIEK-TZMCWYRMSA-N 2 2 344.419 1.234 20 30 EDEDLP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262006020 443179599 /nfs/dbraw/zinc/17/95/99/443179599.db2.gz VQIBXKDSRRSPSO-KBPBESRZSA-N 2 2 342.451 1.079 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@H](COC)C1 ZINC000262467488 443195252 /nfs/dbraw/zinc/19/52/52/443195252.db2.gz NYYAKLKOLNDZJM-HNNXBMFYSA-N 2 2 342.447 1.619 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264172786 443253948 /nfs/dbraw/zinc/25/39/48/443253948.db2.gz IGLNGORDKWAJQY-HNNXBMFYSA-N 2 2 345.447 1.220 20 30 EDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000267425628 443453407 /nfs/dbraw/zinc/45/34/07/443453407.db2.gz LMXRHGPVBMRKRW-QGZVFWFLSA-N 3 2 347.507 1.134 20 30 EDEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000267425628 443453409 /nfs/dbraw/zinc/45/34/09/443453409.db2.gz LMXRHGPVBMRKRW-QGZVFWFLSA-N 3 2 347.507 1.134 20 30 EDEDLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1OCCCC#N ZINC000269847106 443454012 /nfs/dbraw/zinc/45/40/12/443454012.db2.gz WXSDUPGCAIVCHU-GOSISDBHSA-N 2 2 335.448 1.780 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283084249 443517115 /nfs/dbraw/zinc/51/71/15/443517115.db2.gz LDKWWAIATNCKOC-HUUCEWRRSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283084249 443517117 /nfs/dbraw/zinc/51/71/17/443517117.db2.gz LDKWWAIATNCKOC-HUUCEWRRSA-N 2 2 346.500 1.567 20 30 EDEDLP CC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000277064311 443899420 /nfs/dbraw/zinc/89/94/20/443899420.db2.gz DLWDCYOPBYTWIP-GOSISDBHSA-N 2 2 326.444 1.733 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468953 444152575 /nfs/dbraw/zinc/15/25/75/444152575.db2.gz YXMZEQRIJHRORJ-JKSUJKDBSA-N 2 2 342.443 1.273 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289468953 444152576 /nfs/dbraw/zinc/15/25/76/444152576.db2.gz YXMZEQRIJHRORJ-JKSUJKDBSA-N 2 2 342.443 1.273 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328848248 444373690 /nfs/dbraw/zinc/37/36/90/444373690.db2.gz AXRLVSNHRWQIQJ-HZPDHXFCSA-N 2 2 349.479 1.860 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328848248 444373693 /nfs/dbraw/zinc/37/36/93/444373693.db2.gz AXRLVSNHRWQIQJ-HZPDHXFCSA-N 2 2 349.479 1.860 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000329191690 444496801 /nfs/dbraw/zinc/49/68/01/444496801.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000329191690 444496805 /nfs/dbraw/zinc/49/68/05/444496805.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000329191690 444496809 /nfs/dbraw/zinc/49/68/09/444496809.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 2 335.452 1.090 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000329191690 444496813 /nfs/dbraw/zinc/49/68/13/444496813.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 2 335.452 1.090 20 30 EDEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@H+](C)CC1)C1CCOCC1 ZINC000329319197 444533653 /nfs/dbraw/zinc/53/36/53/444533653.db2.gz IMOOONCGLUAOGD-MRXNPFEDSA-N 2 2 349.479 1.922 20 30 EDEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@@H+](C)CC1)C1CCOCC1 ZINC000329319197 444533657 /nfs/dbraw/zinc/53/36/57/444533657.db2.gz IMOOONCGLUAOGD-MRXNPFEDSA-N 2 2 349.479 1.922 20 30 EDEDLP Cc1c(C#N)cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000338150437 444537722 /nfs/dbraw/zinc/53/77/22/444537722.db2.gz AMARZNQWMOUVMC-UHFFFAOYSA-N 2 2 328.460 1.965 20 30 EDEDLP Cc1c(C#N)cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000338150437 444537727 /nfs/dbraw/zinc/53/77/27/444537727.db2.gz AMARZNQWMOUVMC-UHFFFAOYSA-N 2 2 328.460 1.965 20 30 EDEDLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000343949854 444689486 /nfs/dbraw/zinc/68/94/86/444689486.db2.gz FGNZKEVCVQRNQK-UHFFFAOYSA-N 2 2 336.461 1.001 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000362701560 445507737 /nfs/dbraw/zinc/50/77/37/445507737.db2.gz HLSRCLFGAFFASX-INIZCTEOSA-N 2 2 327.432 1.848 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000362701560 445507739 /nfs/dbraw/zinc/50/77/39/445507739.db2.gz HLSRCLFGAFFASX-INIZCTEOSA-N 2 2 327.432 1.848 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000360284416 445676436 /nfs/dbraw/zinc/67/64/36/445676436.db2.gz FXXGHOJCSZZBLW-MAUKXSAKSA-N 2 2 335.411 1.914 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000360284416 445676442 /nfs/dbraw/zinc/67/64/42/445676442.db2.gz FXXGHOJCSZZBLW-MAUKXSAKSA-N 2 2 335.411 1.914 20 30 EDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc[nH+]1 ZINC000361835011 445991232 /nfs/dbraw/zinc/99/12/32/445991232.db2.gz YFILMPRUZQVMDN-UHFFFAOYSA-N 2 2 340.406 1.876 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000369264074 446029419 /nfs/dbraw/zinc/02/94/19/446029419.db2.gz AKCYSDZNBDQPQH-ZDUSSCGKSA-N 2 2 330.392 1.442 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000369264074 446029421 /nfs/dbraw/zinc/02/94/21/446029421.db2.gz AKCYSDZNBDQPQH-ZDUSSCGKSA-N 2 2 330.392 1.442 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375336563 446732331 /nfs/dbraw/zinc/73/23/31/446732331.db2.gz OHRZSGIIGVESAB-GOSISDBHSA-N 2 2 342.487 1.959 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375336563 446732338 /nfs/dbraw/zinc/73/23/38/446732338.db2.gz OHRZSGIIGVESAB-GOSISDBHSA-N 2 2 342.487 1.959 20 30 EDEDLP C(#Cc1ccccc1)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338722 446732887 /nfs/dbraw/zinc/73/28/87/446732887.db2.gz ZKEXISKCCHSLST-UHFFFAOYSA-N 2 2 327.472 1.378 20 30 EDEDLP C(#Cc1ccccc1)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338722 446732892 /nfs/dbraw/zinc/73/28/92/446732892.db2.gz ZKEXISKCCHSLST-UHFFFAOYSA-N 2 2 327.472 1.378 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299036 446754861 /nfs/dbraw/zinc/75/48/61/446754861.db2.gz CENOKUACMXYMSS-KONPQCLYSA-N 2 2 336.480 1.224 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299036 446754864 /nfs/dbraw/zinc/75/48/64/446754864.db2.gz CENOKUACMXYMSS-KONPQCLYSA-N 2 2 336.480 1.224 20 30 EDEDLP N#Cc1ncn(CC[NH2+][C@@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)n1 ZINC000376905599 446788589 /nfs/dbraw/zinc/78/85/89/446788589.db2.gz VIWYZIVCUQQORD-QZTJIDSGSA-N 2 2 336.443 1.792 20 30 EDEDLP N#Cc1ncn(CC[NH2+][C@@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)n1 ZINC000376905599 446788592 /nfs/dbraw/zinc/78/85/92/446788592.db2.gz VIWYZIVCUQQORD-QZTJIDSGSA-N 2 2 336.443 1.792 20 30 EDEDLP CC(C)(C#N)CCCC[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000369003152 447257018 /nfs/dbraw/zinc/25/70/18/447257018.db2.gz UMEUTPUUNOPHIV-INIZCTEOSA-N 2 2 341.521 1.948 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491165331 447945184 /nfs/dbraw/zinc/94/51/84/447945184.db2.gz KAOLAGTYNSGEMG-UHFFFAOYSA-N 2 2 343.471 1.479 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491165331 447945188 /nfs/dbraw/zinc/94/51/88/447945188.db2.gz KAOLAGTYNSGEMG-UHFFFAOYSA-N 2 2 343.471 1.479 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@](O)(CC#N)C3)c2cc1C ZINC000592146690 448705166 /nfs/dbraw/zinc/70/51/66/448705166.db2.gz JYDPMWFAPTVIDK-QAPCUYQASA-N 2 2 328.416 1.365 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@](O)(CC#N)C3)c2cc1C ZINC000592146690 448705169 /nfs/dbraw/zinc/70/51/69/448705169.db2.gz JYDPMWFAPTVIDK-QAPCUYQASA-N 2 2 328.416 1.365 20 30 EDEDLP CCC[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000574632395 448920236 /nfs/dbraw/zinc/92/02/36/448920236.db2.gz VTBUVBZDNSACOS-MRXNPFEDSA-N 2 2 335.473 1.653 20 30 EDEDLP CCC[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000574632395 448920237 /nfs/dbraw/zinc/92/02/37/448920237.db2.gz VTBUVBZDNSACOS-MRXNPFEDSA-N 2 2 335.473 1.653 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(O)cc(C#N)c3)CC2)CC1 ZINC000589174164 448983558 /nfs/dbraw/zinc/98/35/58/448983558.db2.gz ICSLAGFQANKZQF-UHFFFAOYSA-N 2 2 342.443 1.552 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCNC3=O)CC2)cc1 ZINC000590971740 449363483 /nfs/dbraw/zinc/36/34/83/449363483.db2.gz KCCJLSSHROBNGO-KRWDZBQOSA-N 2 2 326.444 1.638 20 30 EDEDLP CCc1nc(C#N)cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596122777 449374271 /nfs/dbraw/zinc/37/42/71/449374271.db2.gz CVUVDADLEVSTLV-MRXNPFEDSA-N 2 2 328.464 1.515 20 30 EDEDLP CCc1nc(C#N)cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596122777 449374273 /nfs/dbraw/zinc/37/42/73/449374273.db2.gz CVUVDADLEVSTLV-MRXNPFEDSA-N 2 2 328.464 1.515 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000600739698 449527005 /nfs/dbraw/zinc/52/70/05/449527005.db2.gz TYTJTUVXHOKSSM-MSOLQXFVSA-N 2 2 329.444 1.050 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000600739698 449527008 /nfs/dbraw/zinc/52/70/08/449527008.db2.gz TYTJTUVXHOKSSM-MSOLQXFVSA-N 2 2 329.444 1.050 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@@H+]1C ZINC000600742568 449528484 /nfs/dbraw/zinc/52/84/84/449528484.db2.gz XALKMSAJRQUZDG-YQQAZPJKSA-N 2 2 331.464 1.447 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC[N@H+]1C ZINC000600742568 449528486 /nfs/dbraw/zinc/52/84/86/449528486.db2.gz XALKMSAJRQUZDG-YQQAZPJKSA-N 2 2 331.464 1.447 20 30 EDEDLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599011036 449698379 /nfs/dbraw/zinc/69/83/79/449698379.db2.gz XCTLBODAUDBCQL-QGZVFWFLSA-N 2 2 325.416 1.115 20 30 EDEDLP C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602864289 449873689 /nfs/dbraw/zinc/87/36/89/449873689.db2.gz QWBVZOJNZPSIQB-HNNXBMFYSA-N 2 2 330.432 1.027 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000609571157 450053759 /nfs/dbraw/zinc/05/37/59/450053759.db2.gz LYYVQZZKPZFRCM-KRWDZBQOSA-N 2 2 326.444 1.385 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000609571157 450053768 /nfs/dbraw/zinc/05/37/68/450053768.db2.gz LYYVQZZKPZFRCM-KRWDZBQOSA-N 2 2 326.444 1.385 20 30 EDEDLP CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000609625440 450074252 /nfs/dbraw/zinc/07/42/52/450074252.db2.gz YTYDVRHZBLGEHK-SFHVURJKSA-N 2 2 349.523 1.141 20 30 EDEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644635625 451908750 /nfs/dbraw/zinc/90/87/50/451908750.db2.gz JIDFSDGBFRFYFI-GOSISDBHSA-N 2 2 349.519 1.986 20 30 EDEDLP C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644635625 451908756 /nfs/dbraw/zinc/90/87/56/451908756.db2.gz JIDFSDGBFRFYFI-GOSISDBHSA-N 2 2 349.519 1.986 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649626007 452173992 /nfs/dbraw/zinc/17/39/92/452173992.db2.gz VFFCAIKZAXGUPC-MRXNPFEDSA-N 2 2 337.508 1.626 20 30 EDEDLP CNC(=O)c1cccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747839097 579660446 /nfs/dbraw/zinc/66/04/46/579660446.db2.gz XSUAIUUDUVHBPG-UHFFFAOYSA-N 2 2 340.427 1.945 20 30 EDEDLP COc1cc(F)ccc1N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000761890997 580063299 /nfs/dbraw/zinc/06/32/99/580063299.db2.gz RZIAFPZSUZEAPM-UHFFFAOYSA-N 2 2 344.394 1.822 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)CC1 ZINC000895883264 591296044 /nfs/dbraw/zinc/29/60/44/591296044.db2.gz ASKLVHMEGLJOPB-IBGZPJMESA-N 2 2 343.471 1.902 20 30 EDEDLP C[NH+](C)CCOc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000905496319 592553594 /nfs/dbraw/zinc/55/35/94/592553594.db2.gz QSHJWFYWGVXUKS-LJQANCHMSA-N 2 2 346.475 1.520 20 30 EDEDLP C#CC[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000888405682 593051819 /nfs/dbraw/zinc/05/18/19/593051819.db2.gz VHULBKKYNCQWOF-SFHVURJKSA-N 2 2 346.519 1.992 20 30 EDEDLP CCc1ccc(C#CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000815577893 593642809 /nfs/dbraw/zinc/64/28/09/593642809.db2.gz CETFMXGBEWDYOH-IBGZPJMESA-N 2 2 339.483 1.885 20 30 EDEDLP CCc1ccc(C#CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000815577893 593642811 /nfs/dbraw/zinc/64/28/11/593642811.db2.gz CETFMXGBEWDYOH-IBGZPJMESA-N 2 2 339.483 1.885 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)CC1 ZINC000859641936 596154222 /nfs/dbraw/zinc/15/42/22/596154222.db2.gz DRDSBRRKHNOZDX-UHFFFAOYSA-N 2 2 347.434 1.436 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543801 596622581 /nfs/dbraw/zinc/62/25/81/596622581.db2.gz VBDQLXFLKMHATN-UHFFFAOYSA-N 2 2 325.453 1.027 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000883131812 597661811 /nfs/dbraw/zinc/66/18/11/597661811.db2.gz TWOUIPYCNRRHNB-UHFFFAOYSA-N 2 2 343.471 1.733 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000883131812 597661815 /nfs/dbraw/zinc/66/18/15/597661815.db2.gz TWOUIPYCNRRHNB-UHFFFAOYSA-N 2 2 343.471 1.733 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C ZINC001031682644 697506315 /nfs/dbraw/zinc/50/63/15/697506315.db2.gz POWYGJSCMFTRJI-CXAGYDPISA-N 2 2 344.434 1.586 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001031682644 697506316 /nfs/dbraw/zinc/50/63/16/697506316.db2.gz POWYGJSCMFTRJI-CXAGYDPISA-N 2 2 344.434 1.586 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943257902 698025841 /nfs/dbraw/zinc/02/58/41/698025841.db2.gz XNTGEUJJRDEUDC-IAGOWNOFSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943257902 698025844 /nfs/dbraw/zinc/02/58/44/698025844.db2.gz XNTGEUJJRDEUDC-IAGOWNOFSA-N 2 2 333.476 1.091 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767203 698838109 /nfs/dbraw/zinc/83/81/09/698838109.db2.gz RYNIAHZYSHFWDS-PBHICJAKSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767203 698838114 /nfs/dbraw/zinc/83/81/14/698838114.db2.gz RYNIAHZYSHFWDS-PBHICJAKSA-N 2 2 337.427 1.851 20 30 EDEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000941638903 701602948 /nfs/dbraw/zinc/60/29/48/701602948.db2.gz IVSAPBILVROUID-UHFFFAOYSA-N 2 2 345.491 1.482 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000995114515 701045273 /nfs/dbraw/zinc/04/52/73/701045273.db2.gz ITSSPWOWTQWTGE-IRXDYDNUSA-N 2 2 337.427 1.899 20 30 EDEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437241 701540441 /nfs/dbraw/zinc/54/04/41/701540441.db2.gz XAZRPKAIAYKGHE-QGZVFWFLSA-N 2 2 343.475 1.165 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943951767 701710772 /nfs/dbraw/zinc/71/07/72/701710772.db2.gz WMYOGKLAIAZYDD-GDBMZVCRSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943951767 701710774 /nfs/dbraw/zinc/71/07/74/701710774.db2.gz WMYOGKLAIAZYDD-GDBMZVCRSA-N 2 2 325.416 1.894 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995923349 702247542 /nfs/dbraw/zinc/24/75/42/702247542.db2.gz MZRFWHMLPBUPMY-HOTGVXAUSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000995923349 702247545 /nfs/dbraw/zinc/24/75/45/702247545.db2.gz MZRFWHMLPBUPMY-HOTGVXAUSA-N 2 2 346.500 1.567 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997168228 703458573 /nfs/dbraw/zinc/45/85/73/703458573.db2.gz DAVYXACFXYSUBA-IIAWOOMASA-N 2 2 343.899 1.675 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997168228 703458575 /nfs/dbraw/zinc/45/85/75/703458575.db2.gz DAVYXACFXYSUBA-IIAWOOMASA-N 2 2 343.899 1.675 20 30 EDEDLP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976650 705120165 /nfs/dbraw/zinc/12/01/65/705120165.db2.gz NPRBLSGAOWKVFG-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976650 705120167 /nfs/dbraw/zinc/12/01/67/705120167.db2.gz NPRBLSGAOWKVFG-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997976650 705120170 /nfs/dbraw/zinc/12/01/70/705120170.db2.gz NPRBLSGAOWKVFG-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976650 705120172 /nfs/dbraw/zinc/12/01/72/705120172.db2.gz NPRBLSGAOWKVFG-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998256018 705616969 /nfs/dbraw/zinc/61/69/69/705616969.db2.gz AQPLXULBFIPAHD-NWDGAFQWSA-N 2 2 328.338 1.345 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365530 707659983 /nfs/dbraw/zinc/65/99/83/707659983.db2.gz OPVIDUDAHMCFJU-ZWKOTPCHSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365530 707659987 /nfs/dbraw/zinc/65/99/87/707659987.db2.gz OPVIDUDAHMCFJU-ZWKOTPCHSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365530 707659993 /nfs/dbraw/zinc/65/99/93/707659993.db2.gz OPVIDUDAHMCFJU-ZWKOTPCHSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365530 707659998 /nfs/dbraw/zinc/65/99/98/707659998.db2.gz OPVIDUDAHMCFJU-ZWKOTPCHSA-N 2 2 333.476 1.186 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365509 707660265 /nfs/dbraw/zinc/66/02/65/707660265.db2.gz OHADLIUJGNOYQU-MSOLQXFVSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365509 707660268 /nfs/dbraw/zinc/66/02/68/707660268.db2.gz OHADLIUJGNOYQU-MSOLQXFVSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365509 707660271 /nfs/dbraw/zinc/66/02/71/707660271.db2.gz OHADLIUJGNOYQU-MSOLQXFVSA-N 2 2 335.492 1.739 20 30 EDEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365509 707660273 /nfs/dbraw/zinc/66/02/73/707660273.db2.gz OHADLIUJGNOYQU-MSOLQXFVSA-N 2 2 335.492 1.739 20 30 EDEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CC2)CC1 ZINC001000204101 707849819 /nfs/dbraw/zinc/84/98/19/707849819.db2.gz QQBUXNLNPNUMCZ-HNNXBMFYSA-N 2 2 340.471 1.817 20 30 EDEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CC2)CC1 ZINC001000204101 707849823 /nfs/dbraw/zinc/84/98/23/707849823.db2.gz QQBUXNLNPNUMCZ-HNNXBMFYSA-N 2 2 340.471 1.817 20 30 EDEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001005396315 708877965 /nfs/dbraw/zinc/87/79/65/708877965.db2.gz QBSYYGIYOQODCN-SJLPKXTDSA-N 2 2 340.471 1.710 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498921 711889298 /nfs/dbraw/zinc/88/92/98/711889298.db2.gz JHWCNJSRRVNJOY-SFHVURJKSA-N 2 2 328.460 2.000 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004498921 711889299 /nfs/dbraw/zinc/88/92/99/711889299.db2.gz JHWCNJSRRVNJOY-SFHVURJKSA-N 2 2 328.460 2.000 20 30 EDEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000329123286 539411860 /nfs/dbraw/zinc/41/18/60/539411860.db2.gz XDHJMVBYHZOJHQ-QGZVFWFLSA-N 2 2 338.496 1.618 20 30 EDEDLP C[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000329359835 539431416 /nfs/dbraw/zinc/43/14/16/539431416.db2.gz HXNGWKHZZMHJQC-OAHLLOKOSA-N 2 2 347.463 1.011 20 30 EDEDLP N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131818608 223275591 /nfs/dbraw/zinc/27/55/91/223275591.db2.gz HRCPAMBZJCNFLH-UHFFFAOYSA-N 2 2 338.371 1.825 20 30 EDEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)OCCCO2 ZINC000263086033 249327977 /nfs/dbraw/zinc/32/79/77/249327977.db2.gz IHARGIPWBAMEGB-GASCZTMLSA-N 2 2 346.431 1.438 20 30 EDEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)OCCCO2 ZINC000263086033 249327978 /nfs/dbraw/zinc/32/79/78/249327978.db2.gz IHARGIPWBAMEGB-GASCZTMLSA-N 2 2 346.431 1.438 20 30 EDEDLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC1CCCC1 ZINC000264091734 249333779 /nfs/dbraw/zinc/33/37/79/249333779.db2.gz LDJGTGPIWMUEJH-UHFFFAOYSA-N 2 2 346.475 1.745 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424144999 252143752 /nfs/dbraw/zinc/14/37/52/252143752.db2.gz YDIOHANJTPTMBE-IRXDYDNUSA-N 2 2 330.432 1.025 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424144999 252143756 /nfs/dbraw/zinc/14/37/56/252143756.db2.gz YDIOHANJTPTMBE-IRXDYDNUSA-N 2 2 330.432 1.025 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000490742781 255105015 /nfs/dbraw/zinc/10/50/15/255105015.db2.gz YYCWFKRHKLIXJN-UHFFFAOYSA-N 2 2 329.444 1.213 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000490742781 255105016 /nfs/dbraw/zinc/10/50/16/255105016.db2.gz YYCWFKRHKLIXJN-UHFFFAOYSA-N 2 2 329.444 1.213 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000490925682 255109507 /nfs/dbraw/zinc/10/95/07/255109507.db2.gz XILKHFCBZHEZCM-ZDUSSCGKSA-N 2 2 337.826 1.907 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118834547 221192477 /nfs/dbraw/zinc/19/24/77/221192477.db2.gz ZCPBJQRXLIDHFQ-GOSISDBHSA-N 2 2 341.459 1.209 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000118834547 221192479 /nfs/dbraw/zinc/19/24/79/221192479.db2.gz ZCPBJQRXLIDHFQ-GOSISDBHSA-N 2 2 341.459 1.209 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000271293231 140272527 /nfs/dbraw/zinc/27/25/27/140272527.db2.gz NERSWCHQNOVGDP-CRAIPNDOSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000271293231 140272528 /nfs/dbraw/zinc/27/25/28/140272528.db2.gz NERSWCHQNOVGDP-CRAIPNDOSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000339680356 142117712 /nfs/dbraw/zinc/11/77/12/142117712.db2.gz UGRPESQYYQZYKD-MRXNPFEDSA-N 2 2 344.459 1.169 20 30 EDEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CC2 ZINC000353248515 149339230 /nfs/dbraw/zinc/33/92/30/149339230.db2.gz BAOAHROWBJLSGF-FQEVSTJZSA-N 2 2 342.487 1.525 20 30 EDEDLP N#Cc1cccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000374252741 157213858 /nfs/dbraw/zinc/21/38/58/157213858.db2.gz ZNXZERUAAAFSJL-UHFFFAOYSA-N 2 2 342.487 1.487 20 30 EDEDLP N#Cc1cccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000374252741 157213863 /nfs/dbraw/zinc/21/38/63/157213863.db2.gz ZNXZERUAAAFSJL-UHFFFAOYSA-N 2 2 342.487 1.487 20 30 EDEDLP CN(C)c1[nH+]cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000425330724 267295401 /nfs/dbraw/zinc/29/54/01/267295401.db2.gz YCKADCMEAQOPEG-UHFFFAOYSA-N 2 2 338.459 1.676 20 30 EDEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCCO1 ZINC000072740887 441256553 /nfs/dbraw/zinc/25/65/53/441256553.db2.gz YAHKZFXPBOQZIL-AWEZNQCLSA-N 2 2 331.395 1.855 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000177133210 442302990 /nfs/dbraw/zinc/30/29/90/442302990.db2.gz DQKUEUKEBFGNJC-VOTSOKGWSA-N 2 2 326.444 1.714 20 30 EDEDLP C[NH+]1CCC(CNC(=[NH2+])Nc2ccccn2)([NH+]2CCCCC2)CC1 ZINC000178585833 442445661 /nfs/dbraw/zinc/44/56/61/442445661.db2.gz FTVOHIBTQLVXST-UHFFFAOYSA-N 3 2 330.480 1.759 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000178779187 442482516 /nfs/dbraw/zinc/48/25/16/442482516.db2.gz PXUBEHZMTWRNKL-MRXNPFEDSA-N 2 2 329.448 1.610 20 30 EDEDLP CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261987879 443178459 /nfs/dbraw/zinc/17/84/59/443178459.db2.gz QNXZGZOQASUFTD-KGLIPLIRSA-N 2 2 334.468 1.114 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280555434 443736286 /nfs/dbraw/zinc/73/62/86/443736286.db2.gz UPJDXGRVGCEHHT-QRQLOZEOSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280555434 443736291 /nfs/dbraw/zinc/73/62/91/443736291.db2.gz UPJDXGRVGCEHHT-QRQLOZEOSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280555434 443736294 /nfs/dbraw/zinc/73/62/94/443736294.db2.gz UPJDXGRVGCEHHT-QRQLOZEOSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280555434 443736296 /nfs/dbraw/zinc/73/62/96/443736296.db2.gz UPJDXGRVGCEHHT-QRQLOZEOSA-N 2 2 340.471 1.811 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000281222286 443852477 /nfs/dbraw/zinc/85/24/77/443852477.db2.gz DXDHVMPAKKTNIU-HRCADAONSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000281222286 443852481 /nfs/dbraw/zinc/85/24/81/443852481.db2.gz DXDHVMPAKKTNIU-HRCADAONSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285557385 444027568 /nfs/dbraw/zinc/02/75/68/444027568.db2.gz HBKJOAKKOSMXCH-AWEZNQCLSA-N 2 2 336.436 1.434 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285557385 444027571 /nfs/dbraw/zinc/02/75/71/444027571.db2.gz HBKJOAKKOSMXCH-AWEZNQCLSA-N 2 2 336.436 1.434 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285557385 444027576 /nfs/dbraw/zinc/02/75/76/444027576.db2.gz HBKJOAKKOSMXCH-AWEZNQCLSA-N 2 2 336.436 1.434 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285557385 444027581 /nfs/dbraw/zinc/02/75/81/444027581.db2.gz HBKJOAKKOSMXCH-AWEZNQCLSA-N 2 2 336.436 1.434 20 30 EDEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000331225593 444450600 /nfs/dbraw/zinc/45/06/00/444450600.db2.gz MVTNQJRNDKZVMX-CQSZACIVSA-N 2 2 349.479 1.339 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000331225593 444450602 /nfs/dbraw/zinc/45/06/02/444450602.db2.gz MVTNQJRNDKZVMX-CQSZACIVSA-N 2 2 349.479 1.339 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccnn3)CC2)CC1 ZINC000328703351 444435668 /nfs/dbraw/zinc/43/56/68/444435668.db2.gz KCPYJGDDSCCEKX-UHFFFAOYSA-N 2 2 332.452 1.039 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@H+](C)CC1)C1CCOCC1 ZINC000329320117 444533493 /nfs/dbraw/zinc/53/34/93/444533493.db2.gz IUGFUCKWSJHRQU-OAHLLOKOSA-N 2 2 335.452 1.439 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[N@@H+](C)CC1)C1CCOCC1 ZINC000329320117 444533498 /nfs/dbraw/zinc/53/34/98/444533498.db2.gz IUGFUCKWSJHRQU-OAHLLOKOSA-N 2 2 335.452 1.439 20 30 EDEDLP C[C@@H](C#N)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000338351168 444649099 /nfs/dbraw/zinc/64/90/99/444649099.db2.gz NEQYILKLMWIWHG-INIZCTEOSA-N 2 2 341.459 1.744 20 30 EDEDLP C[C@@H](C#N)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000338351168 444649105 /nfs/dbraw/zinc/64/91/05/444649105.db2.gz NEQYILKLMWIWHG-INIZCTEOSA-N 2 2 341.459 1.744 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000329991558 444803064 /nfs/dbraw/zinc/80/30/64/444803064.db2.gz JXMKYENATQOKLT-MRXNPFEDSA-N 2 2 346.479 1.653 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000336893074 444837866 /nfs/dbraw/zinc/83/78/66/444837866.db2.gz SWDHFSNFJHAISR-QFBILLFUSA-N 2 2 339.395 1.846 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000336893074 444837869 /nfs/dbraw/zinc/83/78/69/444837869.db2.gz SWDHFSNFJHAISR-QFBILLFUSA-N 2 2 339.395 1.846 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639535 445474182 /nfs/dbraw/zinc/47/41/82/445474182.db2.gz LHMHGUWYWIJSDZ-KRWDZBQOSA-N 2 2 336.524 1.511 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365259998 446109830 /nfs/dbraw/zinc/10/98/30/446109830.db2.gz NRYRYYSAFDETCA-QGZVFWFLSA-N 2 2 341.459 1.526 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365259998 446109836 /nfs/dbraw/zinc/10/98/36/446109836.db2.gz NRYRYYSAFDETCA-QGZVFWFLSA-N 2 2 341.459 1.526 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373910429 446340870 /nfs/dbraw/zinc/34/08/70/446340870.db2.gz YYBUHNRBVNPOCQ-CGTJXYLNSA-N 2 2 335.492 1.595 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384902 446560002 /nfs/dbraw/zinc/56/00/02/446560002.db2.gz HFBNFEOYZGKCHT-HUUCEWRRSA-N 2 2 337.489 1.701 20 30 EDEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384902 446560008 /nfs/dbraw/zinc/56/00/08/446560008.db2.gz HFBNFEOYZGKCHT-HUUCEWRRSA-N 2 2 337.489 1.701 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376698908 446660798 /nfs/dbraw/zinc/66/07/98/446660798.db2.gz FTXDPBUPYMXYMS-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376698908 446660806 /nfs/dbraw/zinc/66/08/06/446660806.db2.gz FTXDPBUPYMXYMS-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)C1=O ZINC000375623975 446932602 /nfs/dbraw/zinc/93/26/02/446932602.db2.gz JHDJPSDSSSWPAT-LJQANCHMSA-N 2 2 342.487 1.807 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)C1=O ZINC000375623975 446932605 /nfs/dbraw/zinc/93/26/05/446932605.db2.gz JHDJPSDSSSWPAT-LJQANCHMSA-N 2 2 342.487 1.807 20 30 EDEDLP C#C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000491231457 447968571 /nfs/dbraw/zinc/96/85/71/447968571.db2.gz UAWAPRBRPNFMCV-KRWDZBQOSA-N 2 2 334.508 1.892 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000562987262 448278655 /nfs/dbraw/zinc/27/86/55/448278655.db2.gz WYHMSPWMPRKGBH-SFHVURJKSA-N 2 2 327.432 1.227 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000516149000 448385714 /nfs/dbraw/zinc/38/57/14/448385714.db2.gz BJMXZHKWOMAPHA-CVEARBPZSA-N 2 2 330.432 1.053 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000596047855 449335619 /nfs/dbraw/zinc/33/56/19/449335619.db2.gz SHSRFONNTQXRMA-RDTXWAMCSA-N 2 2 342.443 1.728 20 30 EDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000600715810 449513246 /nfs/dbraw/zinc/51/32/46/449513246.db2.gz BSLBYWVRWGYTTE-IXDOHACOSA-N 2 2 339.480 1.147 20 30 EDEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000600715810 449513253 /nfs/dbraw/zinc/51/32/53/449513253.db2.gz BSLBYWVRWGYTTE-IXDOHACOSA-N 2 2 339.480 1.147 20 30 EDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000594718972 449645977 /nfs/dbraw/zinc/64/59/77/449645977.db2.gz XTGYZMKXJQLXRU-SJORKVTESA-N 2 2 331.460 1.955 20 30 EDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000594718972 449645982 /nfs/dbraw/zinc/64/59/82/449645982.db2.gz XTGYZMKXJQLXRU-SJORKVTESA-N 2 2 331.460 1.955 20 30 EDEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)n2c1 ZINC000594993350 449834291 /nfs/dbraw/zinc/83/42/91/449834291.db2.gz OZOZTYZQGDDDNI-MRXNPFEDSA-N 2 2 325.416 1.549 20 30 EDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847252 449854455 /nfs/dbraw/zinc/85/44/55/449854455.db2.gz VAGUJSSHKSBDIB-SFHVURJKSA-N 2 2 335.411 1.692 20 30 EDEDLP N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847252 449854459 /nfs/dbraw/zinc/85/44/59/449854459.db2.gz VAGUJSSHKSBDIB-SFHVURJKSA-N 2 2 335.411 1.692 20 30 EDEDLP C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000599332289 449899334 /nfs/dbraw/zinc/89/93/34/449899334.db2.gz RRZLXIQYZGHTTF-ZACQAIPSSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000599332289 449899343 /nfs/dbraw/zinc/89/93/43/449899343.db2.gz RRZLXIQYZGHTTF-ZACQAIPSSA-N 2 2 332.448 1.837 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599445388 449981200 /nfs/dbraw/zinc/98/12/00/449981200.db2.gz ROBJTQYQKHPGGU-SFHVURJKSA-N 2 2 341.459 1.123 20 30 EDEDLP CN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599445388 449981207 /nfs/dbraw/zinc/98/12/07/449981207.db2.gz ROBJTQYQKHPGGU-SFHVURJKSA-N 2 2 341.459 1.123 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000653553205 452012868 /nfs/dbraw/zinc/01/28/68/452012868.db2.gz FBLXBDNNBOJSEE-UHFFFAOYSA-N 2 2 341.463 1.291 20 30 EDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329742660 485553105 /nfs/dbraw/zinc/55/31/05/485553105.db2.gz WQWXEDNAXNIMAU-LSDHHAIUSA-N 2 2 347.463 1.225 20 30 EDEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329742660 485553114 /nfs/dbraw/zinc/55/31/14/485553114.db2.gz WQWXEDNAXNIMAU-LSDHHAIUSA-N 2 2 347.463 1.225 20 30 EDEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000093046426 526868349 /nfs/dbraw/zinc/86/83/49/526868349.db2.gz XHHDVCSCQNHEOM-UHFFFAOYSA-N 2 2 343.471 1.991 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000730106347 578615101 /nfs/dbraw/zinc/61/51/01/578615101.db2.gz YPTCQXCDFURXSF-IBGZPJMESA-N 2 2 340.471 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000730106347 578615102 /nfs/dbraw/zinc/61/51/02/578615102.db2.gz YPTCQXCDFURXSF-IBGZPJMESA-N 2 2 340.471 1.470 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000748817757 579701777 /nfs/dbraw/zinc/70/17/77/579701777.db2.gz QRHHSLXLWZEJSQ-PKOBYXMFSA-N 2 2 325.456 1.642 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000748817757 579701778 /nfs/dbraw/zinc/70/17/78/579701778.db2.gz QRHHSLXLWZEJSQ-PKOBYXMFSA-N 2 2 325.456 1.642 20 30 EDEDLP C#Cc1cccc(NC(=S)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000749006898 579709856 /nfs/dbraw/zinc/70/98/56/579709856.db2.gz YOTPVOQLOQAVOJ-UHFFFAOYSA-N 2 2 330.501 1.980 20 30 EDEDLP Cc1nc(Cl)cc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755745292 579933968 /nfs/dbraw/zinc/93/39/68/579933968.db2.gz SBSFCERDMNLWRN-UHFFFAOYSA-N 2 2 346.826 1.426 20 30 EDEDLP C#C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000773272903 580332341 /nfs/dbraw/zinc/33/23/41/580332341.db2.gz KJRUCBKCRWHKJY-ZWKOTPCHSA-N 2 2 348.491 1.025 20 30 EDEDLP C#C[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCCO1 ZINC000775793840 580400900 /nfs/dbraw/zinc/40/09/00/580400900.db2.gz FUARLAPCUIZWGH-GJYPPUQNSA-N 2 2 327.428 1.784 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619894 592587202 /nfs/dbraw/zinc/58/72/02/592587202.db2.gz NTKKUVGKJMMVJF-ROUUACIJSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905619894 592587205 /nfs/dbraw/zinc/58/72/05/592587205.db2.gz NTKKUVGKJMMVJF-ROUUACIJSA-N 2 2 345.443 1.141 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000906508632 592836800 /nfs/dbraw/zinc/83/68/00/592836800.db2.gz ZVENSFWQPKKYDT-GOSISDBHSA-N 2 2 344.459 1.427 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000906508632 592836803 /nfs/dbraw/zinc/83/68/03/592836803.db2.gz ZVENSFWQPKKYDT-GOSISDBHSA-N 2 2 344.459 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccccc3OC)CC2)CC1 ZINC000829693309 594241500 /nfs/dbraw/zinc/24/15/00/594241500.db2.gz DQRQWBFPNXKTFS-UHFFFAOYSA-N 2 2 327.428 1.051 20 30 EDEDLP NC(=[NH+]OCCOC(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658993 595849071 /nfs/dbraw/zinc/84/90/71/595849071.db2.gz WXXXWNIJRAIUSV-UHFFFAOYSA-N 2 2 329.347 1.395 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000852587638 596205987 /nfs/dbraw/zinc/20/59/87/596205987.db2.gz ZUJJUOPANONONQ-DLBZAZTESA-N 2 2 347.503 1.480 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000874264757 596991368 /nfs/dbraw/zinc/99/13/68/596991368.db2.gz YXJAJCOSPBPTSV-LJQANCHMSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000874264757 596991370 /nfs/dbraw/zinc/99/13/70/596991370.db2.gz YXJAJCOSPBPTSV-LJQANCHMSA-N 2 2 341.455 1.437 20 30 EDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239471 597235713 /nfs/dbraw/zinc/23/57/13/597235713.db2.gz WZCOQMHBJCQALJ-CRAIPNDOSA-N 2 2 328.460 1.884 20 30 EDEDLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000880476039 597940695 /nfs/dbraw/zinc/94/06/95/597940695.db2.gz MLOWTAUJKSGKHO-KRWDZBQOSA-N 2 2 329.444 1.858 20 30 EDEDLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031710963 697715548 /nfs/dbraw/zinc/71/55/48/697715548.db2.gz AYVFNOKWWCPNIP-FQEVSTJZSA-N 2 2 339.483 1.961 20 30 EDEDLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031710963 697715550 /nfs/dbraw/zinc/71/55/50/697715550.db2.gz AYVFNOKWWCPNIP-FQEVSTJZSA-N 2 2 339.483 1.961 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587266 701591189 /nfs/dbraw/zinc/59/11/89/701591189.db2.gz NTWZBHJDIYEGTJ-INIZCTEOSA-N 2 2 331.464 1.239 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939407660 699562216 /nfs/dbraw/zinc/56/22/16/699562216.db2.gz HTYGMYHLPNTARA-ONGXEEELSA-N 2 2 327.226 1.297 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939413021 699566253 /nfs/dbraw/zinc/56/62/53/699566253.db2.gz JBUNWUMBSZTTQV-MLGOLLRUSA-N 2 2 341.390 1.600 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095324 704182050 /nfs/dbraw/zinc/18/20/50/704182050.db2.gz WGTJHCUJWFULGG-MGPQQGTHSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095324 704182052 /nfs/dbraw/zinc/18/20/52/704182052.db2.gz WGTJHCUJWFULGG-MGPQQGTHSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095324 704182054 /nfs/dbraw/zinc/18/20/54/704182054.db2.gz WGTJHCUJWFULGG-MGPQQGTHSA-N 2 2 344.297 1.768 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095324 704182055 /nfs/dbraw/zinc/18/20/55/704182055.db2.gz WGTJHCUJWFULGG-MGPQQGTHSA-N 2 2 344.297 1.768 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C(F)(F)F ZINC000998277061 705660402 /nfs/dbraw/zinc/66/04/02/705660402.db2.gz NCKWOBOFOASWRD-OLZOCXBDSA-N 2 2 342.365 1.355 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032627965 705739985 /nfs/dbraw/zinc/73/99/85/705739985.db2.gz NZIADFZXBXWHHC-SNRMKQJTSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032627965 705739988 /nfs/dbraw/zinc/73/99/88/705739988.db2.gz NZIADFZXBXWHHC-SNRMKQJTSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032627965 705739992 /nfs/dbraw/zinc/73/99/92/705739992.db2.gz NZIADFZXBXWHHC-SNRMKQJTSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032627965 705739995 /nfs/dbraw/zinc/73/99/95/705739995.db2.gz NZIADFZXBXWHHC-SNRMKQJTSA-N 2 2 338.455 1.685 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033587182 708278712 /nfs/dbraw/zinc/27/87/12/708278712.db2.gz FRPBVPMDTFJECI-QGZVFWFLSA-N 2 2 337.427 1.567 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033587182 708278713 /nfs/dbraw/zinc/27/87/13/708278713.db2.gz FRPBVPMDTFJECI-QGZVFWFLSA-N 2 2 337.427 1.567 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2CC)CC1 ZINC001003056877 709906553 /nfs/dbraw/zinc/90/65/53/709906553.db2.gz VMTSZXHWIASAQY-SFHVURJKSA-N 2 2 344.459 1.415 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2CC)CC1 ZINC001003056877 709906554 /nfs/dbraw/zinc/90/65/54/709906554.db2.gz VMTSZXHWIASAQY-SFHVURJKSA-N 2 2 344.459 1.415 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497390 711885637 /nfs/dbraw/zinc/88/56/37/711885637.db2.gz IFBDXPUIBWJIEE-KRWDZBQOSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004497390 711885638 /nfs/dbraw/zinc/88/56/38/711885638.db2.gz IFBDXPUIBWJIEE-KRWDZBQOSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033160623 712257731 /nfs/dbraw/zinc/25/77/31/712257731.db2.gz HHEMNAFCAHHPBB-WMZOPIPTSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033160623 712257733 /nfs/dbraw/zinc/25/77/33/712257733.db2.gz HHEMNAFCAHHPBB-WMZOPIPTSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033160623 712257735 /nfs/dbraw/zinc/25/77/35/712257735.db2.gz HHEMNAFCAHHPBB-WMZOPIPTSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033160623 712257737 /nfs/dbraw/zinc/25/77/37/712257737.db2.gz HHEMNAFCAHHPBB-WMZOPIPTSA-N 2 2 333.476 1.186 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000266390439 249347639 /nfs/dbraw/zinc/34/76/39/249347639.db2.gz NYWAXBSBIGQAFV-OAHLLOKOSA-N 2 2 331.464 1.748 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000266390439 249347642 /nfs/dbraw/zinc/34/76/42/249347642.db2.gz NYWAXBSBIGQAFV-OAHLLOKOSA-N 2 2 331.464 1.748 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000369706927 250203595 /nfs/dbraw/zinc/20/35/95/250203595.db2.gz ODGHIJJRKFCEGN-GOSISDBHSA-N 2 2 328.460 1.765 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000369706927 250203599 /nfs/dbraw/zinc/20/35/99/250203599.db2.gz ODGHIJJRKFCEGN-GOSISDBHSA-N 2 2 328.460 1.765 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000373095141 250231510 /nfs/dbraw/zinc/23/15/10/250231510.db2.gz OCWVJLCDXMXVRY-OAHLLOKOSA-N 2 2 329.448 1.942 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000373095141 250231513 /nfs/dbraw/zinc/23/15/13/250231513.db2.gz OCWVJLCDXMXVRY-OAHLLOKOSA-N 2 2 329.448 1.942 20 30 EDEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424139687 252139242 /nfs/dbraw/zinc/13/92/42/252139242.db2.gz FBYRXJKHCWKTMA-MRXNPFEDSA-N 2 2 330.432 1.787 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000490917141 255108402 /nfs/dbraw/zinc/10/84/02/255108402.db2.gz WAHBBOBPRYUOKR-ICSRJNTNSA-N 2 2 341.455 1.131 20 30 EDEDLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c(C#N)c1C ZINC000357644385 151098849 /nfs/dbraw/zinc/09/88/49/151098849.db2.gz DCXOBRKIRSWQOY-ZDUSSCGKSA-N 2 2 348.447 1.484 20 30 EDEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c(C#N)c1C ZINC000357644385 151098852 /nfs/dbraw/zinc/09/88/52/151098852.db2.gz DCXOBRKIRSWQOY-ZDUSSCGKSA-N 2 2 348.447 1.484 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000519819369 270015478 /nfs/dbraw/zinc/01/54/78/270015478.db2.gz KQPVORDDYVODRY-LJQANCHMSA-N 3 2 328.460 1.491 20 30 EDEDLP Cc1nsc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)c1C#N ZINC000517583126 268101038 /nfs/dbraw/zinc/10/10/38/268101038.db2.gz IAXSVPINJGMJCX-UHFFFAOYSA-N 2 2 330.461 1.812 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000418805003 268221130 /nfs/dbraw/zinc/22/11/30/268221130.db2.gz ZQVGKTGKAXLXIE-ROUUACIJSA-N 2 2 341.459 1.513 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1=O ZINC000543021745 306060111 /nfs/dbraw/zinc/06/01/11/306060111.db2.gz OPKLHSMWGSAJRN-AWEZNQCLSA-N 2 2 329.429 1.634 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC#N)CC2CC2)C1 ZINC000081043619 441225149 /nfs/dbraw/zinc/22/51/49/441225149.db2.gz VEAPHRBNSGJBEP-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](CCC#N)CC2CC2)C1 ZINC000081043619 441225153 /nfs/dbraw/zinc/22/51/53/441225153.db2.gz VEAPHRBNSGJBEP-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](CCC#N)CC2CC2)C1 ZINC000081043619 441225156 /nfs/dbraw/zinc/22/51/56/441225156.db2.gz VEAPHRBNSGJBEP-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](CCC#N)CC2CC2)C1 ZINC000081043619 441225158 /nfs/dbraw/zinc/22/51/58/441225158.db2.gz VEAPHRBNSGJBEP-KRWDZBQOSA-N 2 2 336.480 1.085 20 30 EDEDLP C[NH+]=C(NCCn1cc(C)cn1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159961522 441849093 /nfs/dbraw/zinc/84/90/93/441849093.db2.gz MTKDKARXWBYIJX-JKSUJKDBSA-N 2 2 329.452 1.547 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000119292730 441926930 /nfs/dbraw/zinc/92/69/30/441926930.db2.gz CLYFMNVZKBTZEN-INIZCTEOSA-N 2 2 328.460 1.546 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859146 442058231 /nfs/dbraw/zinc/05/82/31/442058231.db2.gz WYWLBNIEQSKFKK-ZWKOTPCHSA-N 2 2 335.492 1.620 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859146 442058238 /nfs/dbraw/zinc/05/82/38/442058238.db2.gz WYWLBNIEQSKFKK-ZWKOTPCHSA-N 2 2 335.492 1.620 20 30 EDEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858960 442058619 /nfs/dbraw/zinc/05/86/19/442058619.db2.gz AYXZJHKNXVCWFZ-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858960 442058621 /nfs/dbraw/zinc/05/86/21/442058621.db2.gz AYXZJHKNXVCWFZ-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000171019156 442299717 /nfs/dbraw/zinc/29/97/17/442299717.db2.gz CLQLDCCDIVSGIB-UHFFFAOYSA-N 2 2 346.500 1.523 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000171019156 442299718 /nfs/dbraw/zinc/29/97/18/442299718.db2.gz CLQLDCCDIVSGIB-UHFFFAOYSA-N 2 2 346.500 1.523 20 30 EDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000249901400 443008677 /nfs/dbraw/zinc/00/86/77/443008677.db2.gz TYNXFJNTPHRDEP-KSSFIOAISA-N 2 2 327.432 1.624 20 30 EDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000249901400 443008685 /nfs/dbraw/zinc/00/86/85/443008685.db2.gz TYNXFJNTPHRDEP-KSSFIOAISA-N 2 2 327.432 1.624 20 30 EDEDLP CNC(=O)CC1CCN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)CC1 ZINC000261801607 443170026 /nfs/dbraw/zinc/17/00/26/443170026.db2.gz RMALHLAAEBQGEF-UHFFFAOYSA-N 2 2 346.479 1.143 20 30 EDEDLP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261963788 443176594 /nfs/dbraw/zinc/17/65/94/443176594.db2.gz KYGBDHKSJRRZNR-WBVHZDCISA-N 3 2 343.479 1.937 20 30 EDEDLP C[NH+]=C(NCc1ccco1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264031904 443246366 /nfs/dbraw/zinc/24/63/66/443246366.db2.gz DUIDMQZBKSUGCI-UHFFFAOYSA-N 2 2 342.443 1.977 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919242 443517252 /nfs/dbraw/zinc/51/72/52/443517252.db2.gz ZQCLUKAIXKNPAM-RHSMWYFYSA-N 2 2 330.432 1.579 20 30 EDEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1 ZINC000271919242 443517257 /nfs/dbraw/zinc/51/72/57/443517257.db2.gz ZQCLUKAIXKNPAM-RHSMWYFYSA-N 2 2 330.432 1.579 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286619922 443718646 /nfs/dbraw/zinc/71/86/46/443718646.db2.gz CJGYWQJTJHFUPA-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286619922 443718648 /nfs/dbraw/zinc/71/86/48/443718648.db2.gz CJGYWQJTJHFUPA-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286619922 443718649 /nfs/dbraw/zinc/71/86/49/443718649.db2.gz CJGYWQJTJHFUPA-HLLBOEOZSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286619928 443719025 /nfs/dbraw/zinc/71/90/25/443719025.db2.gz CJGYWQJTJHFUPA-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286619928 443719028 /nfs/dbraw/zinc/71/90/28/443719028.db2.gz CJGYWQJTJHFUPA-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286619928 443719032 /nfs/dbraw/zinc/71/90/32/443719032.db2.gz CJGYWQJTJHFUPA-YQQAZPJKSA-N 2 2 333.480 1.426 20 30 EDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000564442249 321131672 /nfs/dbraw/zinc/13/16/72/321131672.db2.gz CQLFELHLRFRMLP-YZDADXEPSA-N 2 2 343.471 1.995 20 30 EDEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3CC(=O)OC)CC1 ZINC000301323512 444163897 /nfs/dbraw/zinc/16/38/97/444163897.db2.gz WAZSCUVRJKMVCB-UHFFFAOYSA-N 2 2 344.419 1.452 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000321992617 444338450 /nfs/dbraw/zinc/33/84/50/444338450.db2.gz WCKWCRUTOYCNEH-OAHLLOKOSA-N 2 2 333.457 1.406 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000321992617 444338451 /nfs/dbraw/zinc/33/84/51/444338451.db2.gz WCKWCRUTOYCNEH-OAHLLOKOSA-N 2 2 333.457 1.406 20 30 EDEDLP COC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)O1 ZINC000328998719 444440046 /nfs/dbraw/zinc/44/00/46/444440046.db2.gz VEDMZWIXAYZHBB-MRXNPFEDSA-N 2 2 339.480 1.696 20 30 EDEDLP COC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)O1 ZINC000328998719 444440049 /nfs/dbraw/zinc/44/00/49/444440049.db2.gz VEDMZWIXAYZHBB-MRXNPFEDSA-N 2 2 339.480 1.696 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000329913291 444766180 /nfs/dbraw/zinc/76/61/80/444766180.db2.gz OQIDXCYBWMQEEX-RHSMWYFYSA-N 2 2 325.453 1.307 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000329913291 444766184 /nfs/dbraw/zinc/76/61/84/444766184.db2.gz OQIDXCYBWMQEEX-RHSMWYFYSA-N 2 2 325.453 1.307 20 30 EDEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000330092159 444840761 /nfs/dbraw/zinc/84/07/61/444840761.db2.gz YJYZZQCOTUYHFU-RDTXWAMCSA-N 2 2 337.464 1.450 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000330092159 444840766 /nfs/dbraw/zinc/84/07/66/444840766.db2.gz YJYZZQCOTUYHFU-RDTXWAMCSA-N 2 2 337.464 1.450 20 30 EDEDLP C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330178496 444875239 /nfs/dbraw/zinc/87/52/39/444875239.db2.gz DTNDZNLZJARHII-CVEARBPZSA-N 2 2 331.464 1.776 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650338 445573445 /nfs/dbraw/zinc/57/34/45/445573445.db2.gz QNKNEFCIAGNQOS-OAHLLOKOSA-N 2 2 336.480 1.106 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650338 445573447 /nfs/dbraw/zinc/57/34/47/445573447.db2.gz QNKNEFCIAGNQOS-OAHLLOKOSA-N 2 2 336.480 1.106 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353575529 445662406 /nfs/dbraw/zinc/66/24/06/445662406.db2.gz OMOZBDFOBFTGGH-HNNXBMFYSA-N 2 2 332.448 1.984 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353575529 445662409 /nfs/dbraw/zinc/66/24/09/445662409.db2.gz OMOZBDFOBFTGGH-HNNXBMFYSA-N 2 2 332.448 1.984 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353575529 445662411 /nfs/dbraw/zinc/66/24/11/445662411.db2.gz OMOZBDFOBFTGGH-HNNXBMFYSA-N 2 2 332.448 1.984 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353575529 445662414 /nfs/dbraw/zinc/66/24/14/445662414.db2.gz OMOZBDFOBFTGGH-HNNXBMFYSA-N 2 2 332.448 1.984 20 30 EDEDLP C#CCSCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364729364 445950542 /nfs/dbraw/zinc/95/05/42/445950542.db2.gz MLKAQKGVKFOXOF-MRXNPFEDSA-N 2 2 338.521 1.163 20 30 EDEDLP C#CCSCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364729364 445950545 /nfs/dbraw/zinc/95/05/45/445950545.db2.gz MLKAQKGVKFOXOF-MRXNPFEDSA-N 2 2 338.521 1.163 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226722 446022991 /nfs/dbraw/zinc/02/29/91/446022991.db2.gz XPCVOFJVAOTLFL-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226722 446022997 /nfs/dbraw/zinc/02/29/97/446022997.db2.gz XPCVOFJVAOTLFL-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226722 446023000 /nfs/dbraw/zinc/02/30/00/446023000.db2.gz XPCVOFJVAOTLFL-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226722 446023004 /nfs/dbraw/zinc/02/30/04/446023004.db2.gz XPCVOFJVAOTLFL-MAUKXSAKSA-N 2 2 328.460 1.979 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000374913030 446453847 /nfs/dbraw/zinc/45/38/47/446453847.db2.gz LJNULXXSRCJENA-SFHVURJKSA-N 2 2 342.443 1.096 20 30 EDEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000374913030 446453840 /nfs/dbraw/zinc/45/38/40/446453840.db2.gz LJNULXXSRCJENA-SFHVURJKSA-N 2 2 342.443 1.096 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580040 448455125 /nfs/dbraw/zinc/45/51/25/448455125.db2.gz NFXPNNNOADZQSX-CABCVRRESA-N 2 2 329.448 1.941 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580040 448455128 /nfs/dbraw/zinc/45/51/28/448455128.db2.gz NFXPNNNOADZQSX-CABCVRRESA-N 2 2 329.448 1.941 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000568156064 448824126 /nfs/dbraw/zinc/82/41/26/448824126.db2.gz CWKRNRUWFGAWRS-UHFFFAOYSA-N 2 2 335.473 1.798 20 30 EDEDLP N#CCCN(C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000568167806 448828325 /nfs/dbraw/zinc/82/83/25/448828325.db2.gz OJCGTSWJQKLINV-UHFFFAOYSA-N 2 2 338.415 1.479 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009096 448964011 /nfs/dbraw/zinc/96/40/11/448964011.db2.gz OOYZRCVLMNJNMO-CYBMUJFWSA-N 2 2 331.420 1.021 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009096 448964016 /nfs/dbraw/zinc/96/40/16/448964016.db2.gz OOYZRCVLMNJNMO-CYBMUJFWSA-N 2 2 331.420 1.021 20 30 EDEDLP C=CCOc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530243271 449091682 /nfs/dbraw/zinc/09/16/82/449091682.db2.gz HAFVFZWVVMBKHL-UHFFFAOYSA-N 2 2 344.459 1.394 20 30 EDEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590242019 449119057 /nfs/dbraw/zinc/11/90/57/449119057.db2.gz KERZNNYXSAOCJH-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590242019 449119060 /nfs/dbraw/zinc/11/90/60/449119060.db2.gz KERZNNYXSAOCJH-OAHLLOKOSA-N 2 2 332.473 1.860 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000594435918 449515134 /nfs/dbraw/zinc/51/51/34/449515134.db2.gz BAOJZENDDDRUCW-KRWDZBQOSA-N 2 2 330.432 1.448 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c(-c2ccncc2)n1 ZINC000599008010 449696013 /nfs/dbraw/zinc/69/60/13/449696013.db2.gz FSVRCASOMJODOY-QGZVFWFLSA-N 2 2 340.431 1.015 20 30 EDEDLP N#CCCn1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c(-c2ccncc2)n1 ZINC000599008010 449696018 /nfs/dbraw/zinc/69/60/18/449696018.db2.gz FSVRCASOMJODOY-QGZVFWFLSA-N 2 2 340.431 1.015 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000594876147 449789083 /nfs/dbraw/zinc/78/90/83/449789083.db2.gz GBJDETHKOJXVMI-OCCSQVGLSA-N 2 2 338.333 1.321 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000594876147 449789091 /nfs/dbraw/zinc/78/90/91/449789091.db2.gz GBJDETHKOJXVMI-OCCSQVGLSA-N 2 2 338.333 1.321 20 30 EDEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000597247849 449894332 /nfs/dbraw/zinc/89/43/32/449894332.db2.gz GGAKCXHLOZXPRR-MRXNPFEDSA-N 2 2 328.420 1.144 20 30 EDEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000597247849 449894338 /nfs/dbraw/zinc/89/43/38/449894338.db2.gz GGAKCXHLOZXPRR-MRXNPFEDSA-N 2 2 328.420 1.144 20 30 EDEDLP C=CCOCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666519862 452935944 /nfs/dbraw/zinc/93/59/44/452935944.db2.gz WOCFXXZVGALATK-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCOCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666519862 452935952 /nfs/dbraw/zinc/93/59/52/452935952.db2.gz WOCFXXZVGALATK-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000132437440 526725470 /nfs/dbraw/zinc/72/54/70/526725470.db2.gz NTTRSRXLRMDEBM-IBGZPJMESA-N 2 2 341.455 1.055 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000132437440 526725474 /nfs/dbraw/zinc/72/54/74/526725474.db2.gz NTTRSRXLRMDEBM-IBGZPJMESA-N 2 2 341.455 1.055 20 30 EDEDLP Cc1[nH+]ccn1CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000727646890 578536562 /nfs/dbraw/zinc/53/65/62/578536562.db2.gz HPJXIHFHNJJYMS-UHFFFAOYSA-N 2 2 333.436 1.046 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000732277981 578701987 /nfs/dbraw/zinc/70/19/87/578701987.db2.gz UBBSMHJZXCVSAT-KRWDZBQOSA-N 2 2 325.456 1.601 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000732277981 578701989 /nfs/dbraw/zinc/70/19/89/578701989.db2.gz UBBSMHJZXCVSAT-KRWDZBQOSA-N 2 2 325.456 1.601 20 30 EDEDLP CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000748777147 579700050 /nfs/dbraw/zinc/70/00/50/579700050.db2.gz IIGGTMBIPLJQNH-UHFFFAOYSA-N 2 2 346.353 1.406 20 30 EDEDLP COc1ccc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000755801254 579935651 /nfs/dbraw/zinc/93/56/51/579935651.db2.gz JEJRFQIQDBHIJD-UHFFFAOYSA-N 2 2 326.404 1.683 20 30 EDEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000775786496 580400367 /nfs/dbraw/zinc/40/03/67/580400367.db2.gz XNSBBJBATYBTNR-RBUKOAKNSA-N 2 2 341.455 1.101 20 30 EDEDLP NC(=[NH+]OC[C@H]1C[C@@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227081 591949618 /nfs/dbraw/zinc/94/96/18/591949618.db2.gz VJRZQFBKQKSMQG-IEBWSBKVSA-N 2 2 345.443 1.582 20 30 EDEDLP C=CCN1CCN(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000840061405 593445209 /nfs/dbraw/zinc/44/52/09/593445209.db2.gz INUULRTZSUWRFP-KDURUIRLSA-N 2 2 340.471 1.931 20 30 EDEDLP C=CCN1CCN(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000840061405 593445211 /nfs/dbraw/zinc/44/52/11/593445211.db2.gz INUULRTZSUWRFP-KDURUIRLSA-N 2 2 340.471 1.931 20 30 EDEDLP C=CCN1CCN(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000840061405 593445214 /nfs/dbraw/zinc/44/52/14/593445214.db2.gz INUULRTZSUWRFP-KDURUIRLSA-N 2 2 340.471 1.931 20 30 EDEDLP C=CCN1CCN(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000840061405 593445216 /nfs/dbraw/zinc/44/52/16/593445216.db2.gz INUULRTZSUWRFP-KDURUIRLSA-N 2 2 340.471 1.931 20 30 EDEDLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822914496 594121297 /nfs/dbraw/zinc/12/12/97/594121297.db2.gz GICLTNCQYCYZLX-AWEZNQCLSA-N 2 2 341.419 1.577 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000852856551 595578210 /nfs/dbraw/zinc/57/82/10/595578210.db2.gz AESIMVWATLPSDN-LJQANCHMSA-N 2 2 341.455 1.179 20 30 EDEDLP CO[C@H]1C[C@@H](CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000871729624 596679417 /nfs/dbraw/zinc/67/94/17/596679417.db2.gz WPQTXRUAZPECGJ-WOVMCDHWSA-N 2 2 333.432 1.581 20 30 EDEDLP C[NH+](C)C1(C)CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000872329738 596881986 /nfs/dbraw/zinc/88/19/86/596881986.db2.gz XBMOJFKRGHTFFC-UHFFFAOYSA-N 2 2 341.525 1.033 20 30 EDEDLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000879064478 597807026 /nfs/dbraw/zinc/80/70/26/597807026.db2.gz HGRIYYQHCRIHAE-UHFFFAOYSA-N 2 2 326.444 1.321 20 30 EDEDLP C[NH+]1CCC(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000879064478 597807029 /nfs/dbraw/zinc/80/70/29/597807029.db2.gz HGRIYYQHCRIHAE-UHFFFAOYSA-N 2 2 326.444 1.321 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001031740501 698310343 /nfs/dbraw/zinc/31/03/43/698310343.db2.gz DNGBPEQILQHLSA-HNNXBMFYSA-N 2 2 332.473 1.097 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2scnc2C)C1 ZINC001031740501 698310345 /nfs/dbraw/zinc/31/03/45/698310345.db2.gz DNGBPEQILQHLSA-HNNXBMFYSA-N 2 2 332.473 1.097 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892768 700967837 /nfs/dbraw/zinc/96/78/37/700967837.db2.gz JXOLLVDNMCVVCH-KRWDZBQOSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892768 700967839 /nfs/dbraw/zinc/96/78/39/700967839.db2.gz JXOLLVDNMCVVCH-KRWDZBQOSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)C(C)(C)C1 ZINC000995922375 702246042 /nfs/dbraw/zinc/24/60/42/702246042.db2.gz KRKLUHFCLQKKPK-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)C(C)(C)C1 ZINC000995922375 702246044 /nfs/dbraw/zinc/24/60/44/702246044.db2.gz KRKLUHFCLQKKPK-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C)on2)C(C)(C)C1 ZINC000995926130 702253516 /nfs/dbraw/zinc/25/35/16/702253516.db2.gz TTWJXQAHWVQZHX-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C)on2)C(C)(C)C1 ZINC000995926130 702253518 /nfs/dbraw/zinc/25/35/18/702253518.db2.gz TTWJXQAHWVQZHX-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996093082 702505868 /nfs/dbraw/zinc/50/58/68/702505868.db2.gz SARPGNHRSATWCE-ZWKOTPCHSA-N 2 2 349.519 1.890 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996093082 702505872 /nfs/dbraw/zinc/50/58/72/702505872.db2.gz SARPGNHRSATWCE-ZWKOTPCHSA-N 2 2 349.519 1.890 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998265431 705632790 /nfs/dbraw/zinc/63/27/90/705632790.db2.gz HWJCSZUGMNARHZ-QWHCGFSZSA-N 2 2 330.354 1.897 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998265431 705632793 /nfs/dbraw/zinc/63/27/93/705632793.db2.gz HWJCSZUGMNARHZ-QWHCGFSZSA-N 2 2 330.354 1.897 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000998928646 706357109 /nfs/dbraw/zinc/35/71/09/706357109.db2.gz PIAJDMXFKMSLPE-PREGVCBESA-N 2 2 330.432 1.160 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000998928646 706357111 /nfs/dbraw/zinc/35/71/11/706357111.db2.gz PIAJDMXFKMSLPE-PREGVCBESA-N 2 2 330.432 1.160 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773879 707178324 /nfs/dbraw/zinc/17/83/24/707178324.db2.gz WOYMEESJTZGSIT-OWCLPIDISA-N 2 2 326.444 1.633 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946773879 707178326 /nfs/dbraw/zinc/17/83/26/707178326.db2.gz WOYMEESJTZGSIT-OWCLPIDISA-N 2 2 326.444 1.633 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999871063 707513227 /nfs/dbraw/zinc/51/32/27/707513227.db2.gz KUDWBGXACYSMJW-UYSNPLJNSA-N 2 2 341.883 1.429 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815824 707566097 /nfs/dbraw/zinc/56/60/97/707566097.db2.gz QIHDKYIXCWLLKV-ZACQAIPSSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815824 707566100 /nfs/dbraw/zinc/56/61/00/707566100.db2.gz QIHDKYIXCWLLKV-ZACQAIPSSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815824 707566101 /nfs/dbraw/zinc/56/61/01/707566101.db2.gz QIHDKYIXCWLLKV-ZACQAIPSSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815824 707566104 /nfs/dbraw/zinc/56/61/04/707566104.db2.gz QIHDKYIXCWLLKV-ZACQAIPSSA-N 2 2 328.460 1.782 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001685003 708182205 /nfs/dbraw/zinc/18/22/05/708182205.db2.gz QUFZTXBEBPMTCT-GOSISDBHSA-N 2 2 335.492 1.502 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001685003 708182208 /nfs/dbraw/zinc/18/22/08/708182208.db2.gz QUFZTXBEBPMTCT-GOSISDBHSA-N 2 2 335.492 1.502 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033656680 708426210 /nfs/dbraw/zinc/42/62/10/708426210.db2.gz CZJVFYFJFQLGEV-AWEZNQCLSA-N 2 2 343.456 1.858 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033656680 708426211 /nfs/dbraw/zinc/42/62/11/708426211.db2.gz CZJVFYFJFQLGEV-AWEZNQCLSA-N 2 2 343.456 1.858 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002871412 709487303 /nfs/dbraw/zinc/48/73/03/709487303.db2.gz KDYRIXYDOHTBBX-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002871412 709487307 /nfs/dbraw/zinc/48/73/07/709487307.db2.gz KDYRIXYDOHTBBX-KRWDZBQOSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncc(C)o2)CC1 ZINC001034663569 710332739 /nfs/dbraw/zinc/33/27/39/710332739.db2.gz DNPKFZVAVDTMIV-ULQDDVLXSA-N 2 2 344.459 1.598 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncc(C)o2)CC1 ZINC001034663569 710332741 /nfs/dbraw/zinc/33/27/41/710332741.db2.gz DNPKFZVAVDTMIV-ULQDDVLXSA-N 2 2 344.459 1.598 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000329879430 539472466 /nfs/dbraw/zinc/47/24/66/539472466.db2.gz MFOMWTYTCHBFHY-HOTGVXAUSA-N 2 2 346.479 1.285 20 30 EDEDLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000329879430 539472469 /nfs/dbraw/zinc/47/24/69/539472469.db2.gz MFOMWTYTCHBFHY-HOTGVXAUSA-N 2 2 346.479 1.285 20 30 EDEDLP N#Cc1cccc(OCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104070320 138299527 /nfs/dbraw/zinc/29/95/27/138299527.db2.gz VRRFHMPJGKCFES-SFHVURJKSA-N 2 2 342.443 1.351 20 30 EDEDLP C#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000368018230 250198570 /nfs/dbraw/zinc/19/85/70/250198570.db2.gz JDRFYLKGIANQGO-IBGZPJMESA-N 2 2 341.455 1.081 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000424194218 252158200 /nfs/dbraw/zinc/15/82/00/252158200.db2.gz VUINRBICNWLVGK-INIZCTEOSA-N 2 2 334.851 1.835 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000424194218 252158202 /nfs/dbraw/zinc/15/82/02/252158202.db2.gz VUINRBICNWLVGK-INIZCTEOSA-N 2 2 334.851 1.835 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354913495 150029047 /nfs/dbraw/zinc/02/90/47/150029047.db2.gz CRBPZVFZUSAOHJ-NVXWUHKLSA-N 2 2 344.438 1.675 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354913495 150029048 /nfs/dbraw/zinc/02/90/48/150029048.db2.gz CRBPZVFZUSAOHJ-NVXWUHKLSA-N 2 2 344.438 1.675 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000371641320 156043895 /nfs/dbraw/zinc/04/38/95/156043895.db2.gz FJHMBTWSTKDETO-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000371641320 156043897 /nfs/dbraw/zinc/04/38/97/156043897.db2.gz FJHMBTWSTKDETO-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000418413640 268219244 /nfs/dbraw/zinc/21/92/44/268219244.db2.gz YZCJCTCHRWOFAT-QGZVFWFLSA-N 2 2 327.432 1.123 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000068444263 441800444 /nfs/dbraw/zinc/80/04/44/441800444.db2.gz HPDJWKBTVVOBAF-IBGZPJMESA-N 2 2 325.456 1.819 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000068444263 441800446 /nfs/dbraw/zinc/80/04/46/441800446.db2.gz HPDJWKBTVVOBAF-IBGZPJMESA-N 2 2 325.456 1.819 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958196 442672201 /nfs/dbraw/zinc/67/22/01/442672201.db2.gz AHWNFZKVGDALOV-QGZVFWFLSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958196 442672204 /nfs/dbraw/zinc/67/22/04/442672204.db2.gz AHWNFZKVGDALOV-QGZVFWFLSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180958196 442672210 /nfs/dbraw/zinc/67/22/10/442672210.db2.gz AHWNFZKVGDALOV-QGZVFWFLSA-N 2 2 338.540 1.757 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180958196 442672211 /nfs/dbraw/zinc/67/22/11/442672211.db2.gz AHWNFZKVGDALOV-QGZVFWFLSA-N 2 2 338.540 1.757 20 30 EDEDLP CC[N@H+](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000184537302 443035817 /nfs/dbraw/zinc/03/58/17/443035817.db2.gz KIYRDSLNLLXVRI-UHFFFAOYSA-N 2 2 327.432 1.363 20 30 EDEDLP CC[N@@H+](CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000184537302 443035822 /nfs/dbraw/zinc/03/58/22/443035822.db2.gz KIYRDSLNLLXVRI-UHFFFAOYSA-N 2 2 327.432 1.363 20 30 EDEDLP CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCOCC1 ZINC000262522819 443198489 /nfs/dbraw/zinc/19/84/89/443198489.db2.gz OCLQSJIFVIFCKU-OAHLLOKOSA-N 2 2 332.448 1.525 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@H](COC)C1 ZINC000262500465 443198945 /nfs/dbraw/zinc/19/89/45/443198945.db2.gz YFXNRQOXEANQPG-AWEZNQCLSA-N 2 2 328.420 1.311 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000266927386 443293349 /nfs/dbraw/zinc/29/33/49/443293349.db2.gz NLOZWUZKGAWJRW-UHFFFAOYSA-N 2 2 338.415 1.443 20 30 EDEDLP C[C@@H](C[NH+](C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000286670290 443720888 /nfs/dbraw/zinc/72/08/88/443720888.db2.gz YVVWSUSGEZPMPL-LBPRGKRZSA-N 2 2 327.432 1.596 20 30 EDEDLP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292765008 443838377 /nfs/dbraw/zinc/83/83/77/443838377.db2.gz JCIDVZVVTKVBQX-UHFFFAOYSA-N 2 2 328.460 1.160 20 30 EDEDLP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292765008 443838383 /nfs/dbraw/zinc/83/83/83/443838383.db2.gz JCIDVZVVTKVBQX-UHFFFAOYSA-N 2 2 328.460 1.160 20 30 EDEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285665270 444065166 /nfs/dbraw/zinc/06/51/66/444065166.db2.gz ZHVSSDQCRBCRRI-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285665270 444065171 /nfs/dbraw/zinc/06/51/71/444065171.db2.gz ZHVSSDQCRBCRRI-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285665270 444065174 /nfs/dbraw/zinc/06/51/74/444065174.db2.gz ZHVSSDQCRBCRRI-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+](CC(=O)NCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285665270 444065178 /nfs/dbraw/zinc/06/51/78/444065178.db2.gz ZHVSSDQCRBCRRI-JWTNVVGKSA-N 2 2 326.444 1.731 20 30 EDEDLP C[NH+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328797502 444355698 /nfs/dbraw/zinc/35/56/98/444355698.db2.gz VUUHXPOAIDGRCN-MRXNPFEDSA-N 2 2 347.463 1.632 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000328811278 444360989 /nfs/dbraw/zinc/36/09/89/444360989.db2.gz FEJVIFJOZFJTOR-IAGOWNOFSA-N 3 2 337.512 1.143 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000328811278 444360990 /nfs/dbraw/zinc/36/09/90/444360990.db2.gz FEJVIFJOZFJTOR-IAGOWNOFSA-N 3 2 337.512 1.143 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329090930 444469687 /nfs/dbraw/zinc/46/96/87/444469687.db2.gz WRLYNWGMQSFTEO-BMFZPTHFSA-N 2 2 349.479 1.874 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329090930 444469689 /nfs/dbraw/zinc/46/96/89/444469689.db2.gz WRLYNWGMQSFTEO-BMFZPTHFSA-N 2 2 349.479 1.874 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000581001817 322123076 /nfs/dbraw/zinc/12/30/76/322123076.db2.gz WHCXROKFXIDHPI-GOSISDBHSA-N 2 2 341.459 1.385 20 30 EDEDLP C[C@H](C#N)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000338351169 444649759 /nfs/dbraw/zinc/64/97/59/444649759.db2.gz NEQYILKLMWIWHG-MRXNPFEDSA-N 2 2 341.459 1.744 20 30 EDEDLP C[C@H](C#N)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000338351169 444649761 /nfs/dbraw/zinc/64/97/61/444649761.db2.gz NEQYILKLMWIWHG-MRXNPFEDSA-N 2 2 341.459 1.744 20 30 EDEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329582207 444638116 /nfs/dbraw/zinc/63/81/16/444638116.db2.gz AJLKIGXSJWDSMS-ILXRZTDVSA-N 2 2 347.463 1.366 20 30 EDEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329582207 444638121 /nfs/dbraw/zinc/63/81/21/444638121.db2.gz AJLKIGXSJWDSMS-ILXRZTDVSA-N 2 2 347.463 1.366 20 30 EDEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329967202 444791892 /nfs/dbraw/zinc/79/18/92/444791892.db2.gz SKJFYVQRUUABRQ-HZPDHXFCSA-N 2 2 348.495 1.355 20 30 EDEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000329967202 444791897 /nfs/dbraw/zinc/79/18/97/444791897.db2.gz SKJFYVQRUUABRQ-HZPDHXFCSA-N 2 2 348.495 1.355 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000330205414 444887632 /nfs/dbraw/zinc/88/76/32/444887632.db2.gz CLUHNOBJYZATGI-OLZOCXBDSA-N 2 2 337.468 1.457 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@H+]1C1CC1 ZINC000330205414 444887636 /nfs/dbraw/zinc/88/76/36/444887636.db2.gz CLUHNOBJYZATGI-OLZOCXBDSA-N 2 2 337.468 1.457 20 30 EDEDLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337129942 444954677 /nfs/dbraw/zinc/95/46/77/444954677.db2.gz JJGVCHBFFYVSGB-QGZVFWFLSA-N 2 2 328.460 1.397 20 30 EDEDLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337129942 444954681 /nfs/dbraw/zinc/95/46/81/444954681.db2.gz JJGVCHBFFYVSGB-QGZVFWFLSA-N 2 2 328.460 1.397 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199920 444982828 /nfs/dbraw/zinc/98/28/28/444982828.db2.gz DXDHVMPAKKTNIU-OAGGEKHMSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199920 444982832 /nfs/dbraw/zinc/98/28/32/444982832.db2.gz DXDHVMPAKKTNIU-OAGGEKHMSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCSCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364281608 445906265 /nfs/dbraw/zinc/90/62/65/445906265.db2.gz MZVNQKQINAZDSV-INIZCTEOSA-N 2 2 340.537 1.716 20 30 EDEDLP C=CCSCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364281608 445906272 /nfs/dbraw/zinc/90/62/72/445906272.db2.gz MZVNQKQINAZDSV-INIZCTEOSA-N 2 2 340.537 1.716 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000364353449 445914648 /nfs/dbraw/zinc/91/46/48/445914648.db2.gz MYGPZWFRPQKNDI-YYIAUSFCSA-N 2 2 336.480 1.226 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)N(C)CCC#N ZINC000364353449 445914654 /nfs/dbraw/zinc/91/46/54/445914654.db2.gz MYGPZWFRPQKNDI-YYIAUSFCSA-N 2 2 336.480 1.226 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179386 446676690 /nfs/dbraw/zinc/67/66/90/446676690.db2.gz XDPRWJLOFDZXCY-HZPDHXFCSA-N 2 2 336.480 1.585 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179386 446676695 /nfs/dbraw/zinc/67/66/95/446676695.db2.gz XDPRWJLOFDZXCY-HZPDHXFCSA-N 2 2 336.480 1.585 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000494913992 447463654 /nfs/dbraw/zinc/46/36/54/447463654.db2.gz CPVFTEVNZBWUDQ-QGZVFWFLSA-N 2 2 338.496 1.437 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000491143916 447936309 /nfs/dbraw/zinc/93/63/09/447936309.db2.gz GYUKINQYZIXXLG-QGZVFWFLSA-N 2 2 349.862 1.131 20 30 EDEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000491657899 448075734 /nfs/dbraw/zinc/07/57/34/448075734.db2.gz ABCRWHXZKGFZSJ-HXUWFJFHSA-N 2 2 345.462 1.886 20 30 EDEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000555795524 448090827 /nfs/dbraw/zinc/09/08/27/448090827.db2.gz CIKSSBWPLZRKSR-UHFFFAOYSA-N 2 2 327.388 1.022 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CC(C)C3)CC2)CC1 ZINC000562950207 448276058 /nfs/dbraw/zinc/27/60/58/448276058.db2.gz DTLSFYBMBKPTOG-UHFFFAOYSA-N 2 2 332.492 1.945 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CC(C)C3)CC2)CC1 ZINC000562950207 448276065 /nfs/dbraw/zinc/27/60/65/448276065.db2.gz DTLSFYBMBKPTOG-UHFFFAOYSA-N 2 2 332.492 1.945 20 30 EDEDLP C[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000563875643 448317181 /nfs/dbraw/zinc/31/71/81/448317181.db2.gz VVNQJUDNQFMYKM-IAGOWNOFSA-N 2 2 329.448 1.706 20 30 EDEDLP C[N@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C[NH3+])C1 ZINC000563875643 448317186 /nfs/dbraw/zinc/31/71/86/448317186.db2.gz VVNQJUDNQFMYKM-IAGOWNOFSA-N 2 2 329.448 1.706 20 30 EDEDLP C=CCOc1ccccc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562994285 448280095 /nfs/dbraw/zinc/28/00/95/448280095.db2.gz WUMBHWDIFTXGNZ-JZXOWHBKSA-N 2 2 334.460 1.811 20 30 EDEDLP C[C@@H](c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734176 448547101 /nfs/dbraw/zinc/54/71/01/448547101.db2.gz WELBRPREDLBEPL-QFBILLFUSA-N 2 2 346.475 1.698 20 30 EDEDLP C[C@@H](c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734176 448547105 /nfs/dbraw/zinc/54/71/05/448547105.db2.gz WELBRPREDLBEPL-QFBILLFUSA-N 2 2 346.475 1.698 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C#N)[nH]c3C)CC2)CC1 ZINC000518751806 448705880 /nfs/dbraw/zinc/70/58/80/448705880.db2.gz ILIWCPDHVSJWQP-UHFFFAOYSA-N 2 2 343.475 1.827 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C#N)[nH]c3C)CC2)CC1 ZINC000518751806 448705884 /nfs/dbraw/zinc/70/58/84/448705884.db2.gz ILIWCPDHVSJWQP-UHFFFAOYSA-N 2 2 343.475 1.827 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180601 448983630 /nfs/dbraw/zinc/98/36/30/448983630.db2.gz REZBXBAMZMHPAX-OAHLLOKOSA-N 2 2 328.416 1.162 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180601 448983634 /nfs/dbraw/zinc/98/36/34/448983634.db2.gz REZBXBAMZMHPAX-OAHLLOKOSA-N 2 2 328.416 1.162 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@]3(O)CCOC3)CC2)cc1 ZINC000593670565 449140513 /nfs/dbraw/zinc/14/05/13/449140513.db2.gz IEDYFYCHLMRXSL-LJQANCHMSA-N 2 2 329.444 1.654 20 30 EDEDLP COC[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323946 449226329 /nfs/dbraw/zinc/22/63/29/449226329.db2.gz UHBKBAHUZZVJOH-LJQANCHMSA-N 3 2 330.476 1.866 20 30 EDEDLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000596439047 449503908 /nfs/dbraw/zinc/50/39/08/449503908.db2.gz XCPBNVCRHINIRL-OAHLLOKOSA-N 2 2 331.464 1.802 20 30 EDEDLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000596439047 449503910 /nfs/dbraw/zinc/50/39/10/449503910.db2.gz XCPBNVCRHINIRL-OAHLLOKOSA-N 2 2 331.464 1.802 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000594435697 449515059 /nfs/dbraw/zinc/51/50/59/449515059.db2.gz ILDJELCJMUVCSH-HNNXBMFYSA-N 2 2 335.477 1.589 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000594435697 449515062 /nfs/dbraw/zinc/51/50/62/449515062.db2.gz ILDJELCJMUVCSH-HNNXBMFYSA-N 2 2 335.477 1.589 20 30 EDEDLP CN(C(=O)c1ccc(C#N)c(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000615428917 450093702 /nfs/dbraw/zinc/09/37/02/450093702.db2.gz FNXNGFUKNUCUBF-QGZVFWFLSA-N 2 2 342.443 1.504 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000595516041 450200212 /nfs/dbraw/zinc/20/02/12/450200212.db2.gz PBBVAYGBAYNRKU-MRXNPFEDSA-N 2 2 347.507 1.928 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000595516041 450200218 /nfs/dbraw/zinc/20/02/18/450200218.db2.gz PBBVAYGBAYNRKU-MRXNPFEDSA-N 2 2 347.507 1.928 20 30 EDEDLP C=CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641322290 451845945 /nfs/dbraw/zinc/84/59/45/451845945.db2.gz XNWNEVPNLSHVIT-UHFFFAOYSA-N 2 2 349.500 1.603 20 30 EDEDLP C=CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641322290 451845951 /nfs/dbraw/zinc/84/59/51/451845951.db2.gz XNWNEVPNLSHVIT-UHFFFAOYSA-N 2 2 349.500 1.603 20 30 EDEDLP CC(C)CC[N@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093100885 527715853 /nfs/dbraw/zinc/71/58/53/527715853.db2.gz XEGXYEAPKOZXEE-UHFFFAOYSA-N 2 2 330.480 1.990 20 30 EDEDLP CC(C)CC[N@@H+](CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093100885 527715857 /nfs/dbraw/zinc/71/58/57/527715857.db2.gz XEGXYEAPKOZXEE-UHFFFAOYSA-N 2 2 330.480 1.990 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000730278403 578638473 /nfs/dbraw/zinc/63/84/73/578638473.db2.gz QMZFKJYNONDBHS-IBGZPJMESA-N 2 2 340.471 1.865 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000730278403 578638474 /nfs/dbraw/zinc/63/84/74/578638474.db2.gz QMZFKJYNONDBHS-IBGZPJMESA-N 2 2 340.471 1.865 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000730278403 578638475 /nfs/dbraw/zinc/63/84/75/578638475.db2.gz QMZFKJYNONDBHS-IBGZPJMESA-N 2 2 340.471 1.865 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000730278403 578638476 /nfs/dbraw/zinc/63/84/76/578638476.db2.gz QMZFKJYNONDBHS-IBGZPJMESA-N 2 2 340.471 1.865 20 30 EDEDLP Cc1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)ncn1 ZINC000793836444 580857407 /nfs/dbraw/zinc/85/74/07/580857407.db2.gz WPWTWVOQKXBXNG-UHFFFAOYSA-N 2 2 341.415 1.454 20 30 EDEDLP C(#Cc1ccccc1)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896031243 591325691 /nfs/dbraw/zinc/32/56/91/591325691.db2.gz SKSYKSIKMSTWGB-FQEVSTJZSA-N 2 2 327.472 1.424 20 30 EDEDLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896326283 591422433 /nfs/dbraw/zinc/42/24/33/591422433.db2.gz XFMFRBYOCNQEFS-HNNXBMFYSA-N 2 2 344.463 1.004 20 30 EDEDLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896326283 591422434 /nfs/dbraw/zinc/42/24/34/591422434.db2.gz XFMFRBYOCNQEFS-HNNXBMFYSA-N 2 2 344.463 1.004 20 30 EDEDLP C=CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903563494 592211362 /nfs/dbraw/zinc/21/13/62/592211362.db2.gz FFJZDSWOMLFGRN-UHFFFAOYSA-N 2 2 337.489 1.507 20 30 EDEDLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1cccnc1 ZINC000905550412 592572696 /nfs/dbraw/zinc/57/26/96/592572696.db2.gz ITSSLRCPEIHJML-QZTJIDSGSA-N 2 2 346.475 1.735 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000838178029 593137248 /nfs/dbraw/zinc/13/72/48/593137248.db2.gz PFZNGDXGHOHLDJ-KRWDZBQOSA-N 2 2 329.444 1.972 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000838178029 593137250 /nfs/dbraw/zinc/13/72/50/593137250.db2.gz PFZNGDXGHOHLDJ-KRWDZBQOSA-N 2 2 329.444 1.972 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC000829900416 594288196 /nfs/dbraw/zinc/28/81/96/594288196.db2.gz MMVSEHDJZRGEGZ-UHFFFAOYSA-N 2 2 329.419 1.572 20 30 EDEDLP C#CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052890 594319366 /nfs/dbraw/zinc/31/93/66/594319366.db2.gz PTPPYRHETORXHT-IRXDYDNUSA-N 2 2 332.492 1.600 20 30 EDEDLP C#CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052890 594319368 /nfs/dbraw/zinc/31/93/68/594319368.db2.gz PTPPYRHETORXHT-IRXDYDNUSA-N 2 2 332.492 1.600 20 30 EDEDLP C#C[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000847024527 595352242 /nfs/dbraw/zinc/35/22/42/595352242.db2.gz RBHHAFKKSNMSDZ-SFHVURJKSA-N 2 2 347.503 1.483 20 30 EDEDLP C[NH+]=C(NCc1ccco1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000849036847 595475334 /nfs/dbraw/zinc/47/53/34/595475334.db2.gz ARRCYGNKQCEMNI-UHFFFAOYSA-N 2 2 334.464 1.980 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000856328150 595956002 /nfs/dbraw/zinc/95/60/02/595956002.db2.gz JWCICTSKEFDEMB-SFHVURJKSA-N 2 2 330.476 1.037 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000856328150 595956005 /nfs/dbraw/zinc/95/60/05/595956005.db2.gz JWCICTSKEFDEMB-SFHVURJKSA-N 2 2 330.476 1.037 20 30 EDEDLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867978952 596642765 /nfs/dbraw/zinc/64/27/65/596642765.db2.gz BJNINNOVHMRUNV-QZTJIDSGSA-N 2 2 326.444 1.544 20 30 EDEDLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997483 596647207 /nfs/dbraw/zinc/64/72/07/596647207.db2.gz FYGLDLSDAVVHNR-MSOLQXFVSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997483 596647213 /nfs/dbraw/zinc/64/72/13/596647213.db2.gz FYGLDLSDAVVHNR-MSOLQXFVSA-N 2 2 344.459 1.333 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866015853 596759287 /nfs/dbraw/zinc/75/92/87/596759287.db2.gz VJAXTNGQSSDNAG-AWEZNQCLSA-N 2 2 327.419 1.567 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866015853 596759288 /nfs/dbraw/zinc/75/92/88/596759288.db2.gz VJAXTNGQSSDNAG-AWEZNQCLSA-N 2 2 327.419 1.567 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000866015742 596759330 /nfs/dbraw/zinc/75/93/30/596759330.db2.gz SAFORMOBVYTKCT-UHFFFAOYSA-N 2 2 328.391 1.620 20 30 EDEDLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876708818 597297416 /nfs/dbraw/zinc/29/74/16/597297416.db2.gz BMOVFJZHPHOGAR-GOSISDBHSA-N 2 2 326.444 1.545 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000884010828 597967726 /nfs/dbraw/zinc/96/77/26/597967726.db2.gz MPIKKFDHLALHHM-IRXDYDNUSA-N 2 2 344.459 1.813 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000884010828 597967729 /nfs/dbraw/zinc/96/77/29/597967729.db2.gz MPIKKFDHLALHHM-IRXDYDNUSA-N 2 2 344.459 1.813 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000884197072 598023534 /nfs/dbraw/zinc/02/35/34/598023534.db2.gz JKIHTGVECXOQQD-HNNXBMFYSA-N 2 2 325.453 1.012 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000884197072 598023536 /nfs/dbraw/zinc/02/35/36/598023536.db2.gz JKIHTGVECXOQQD-HNNXBMFYSA-N 2 2 325.453 1.012 20 30 EDEDLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000994504016 696941568 /nfs/dbraw/zinc/94/15/68/696941568.db2.gz GADJVIPZGJOCMV-MAUKXSAKSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000994504016 696941570 /nfs/dbraw/zinc/94/15/70/696941570.db2.gz GADJVIPZGJOCMV-MAUKXSAKSA-N 2 2 337.427 1.924 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831385 700930916 /nfs/dbraw/zinc/93/09/16/700930916.db2.gz LNIQVNCPJQSBNO-QGZVFWFLSA-N 2 2 329.444 1.873 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831385 700930918 /nfs/dbraw/zinc/93/09/18/700930918.db2.gz LNIQVNCPJQSBNO-QGZVFWFLSA-N 2 2 329.444 1.873 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847066 700942008 /nfs/dbraw/zinc/94/20/08/700942008.db2.gz OIQKRMNOWDJOLU-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847066 700942009 /nfs/dbraw/zinc/94/20/09/700942009.db2.gz OIQKRMNOWDJOLU-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001040928946 701036590 /nfs/dbraw/zinc/03/65/90/701036590.db2.gz DRVBQKWUORTSJN-UHFFFAOYSA-N 2 2 328.460 1.691 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033685201 708498791 /nfs/dbraw/zinc/49/87/91/708498791.db2.gz PBKMAINUKURSBC-MRXNPFEDSA-N 2 2 331.485 1.662 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033685201 708498793 /nfs/dbraw/zinc/49/87/93/708498793.db2.gz PBKMAINUKURSBC-MRXNPFEDSA-N 2 2 331.485 1.662 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033685201 708498794 /nfs/dbraw/zinc/49/87/94/708498794.db2.gz PBKMAINUKURSBC-MRXNPFEDSA-N 2 2 331.485 1.662 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033952901 709134128 /nfs/dbraw/zinc/13/41/28/709134128.db2.gz HJHVRVBVCZVPLY-MRXNPFEDSA-N 2 2 344.459 1.830 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033952901 709134129 /nfs/dbraw/zinc/13/41/29/709134129.db2.gz HJHVRVBVCZVPLY-MRXNPFEDSA-N 2 2 344.459 1.830 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002871388 709486786 /nfs/dbraw/zinc/48/67/86/709486786.db2.gz JQDFWPOKHALBHJ-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C=CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002871388 709486788 /nfs/dbraw/zinc/48/67/88/709486788.db2.gz JQDFWPOKHALBHJ-QGZVFWFLSA-N 2 2 331.464 1.947 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001005519644 709507566 /nfs/dbraw/zinc/50/75/66/709507566.db2.gz XVSGFOOOHBUXEP-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001005519644 709507569 /nfs/dbraw/zinc/50/75/69/709507569.db2.gz XVSGFOOOHBUXEP-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001032837120 710187206 /nfs/dbraw/zinc/18/72/06/710187206.db2.gz BPDUBVNSUIUOAY-KURKYZTESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001032837120 710187210 /nfs/dbraw/zinc/18/72/10/710187210.db2.gz BPDUBVNSUIUOAY-KURKYZTESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC001032837120 710187214 /nfs/dbraw/zinc/18/72/14/710187214.db2.gz BPDUBVNSUIUOAY-KURKYZTESA-N 2 2 333.476 1.234 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC001032837120 710187219 /nfs/dbraw/zinc/18/72/19/710187219.db2.gz BPDUBVNSUIUOAY-KURKYZTESA-N 2 2 333.476 1.234 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001003493795 710376413 /nfs/dbraw/zinc/37/64/13/710376413.db2.gz MRAUFAAFWMHYEJ-GOSISDBHSA-N 2 2 333.476 1.234 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001003493795 710376414 /nfs/dbraw/zinc/37/64/14/710376414.db2.gz MRAUFAAFWMHYEJ-GOSISDBHSA-N 2 2 333.476 1.234 20 30 EDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004617919 712078220 /nfs/dbraw/zinc/07/82/20/712078220.db2.gz UJBNBOBXEYPTLV-WMZOPIPTSA-N 2 2 348.491 1.181 20 30 EDEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004617919 712078222 /nfs/dbraw/zinc/07/82/22/712078222.db2.gz UJBNBOBXEYPTLV-WMZOPIPTSA-N 2 2 348.491 1.181 20 30 EDEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000329916745 539476081 /nfs/dbraw/zinc/47/60/81/539476081.db2.gz QLFVWEALAVTNMC-UHFFFAOYSA-N 3 2 348.495 1.371 20 30 EDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333553754 539633764 /nfs/dbraw/zinc/63/37/64/539633764.db2.gz GBBUGJZYNPIMSI-IAGOWNOFSA-N 2 2 348.491 1.420 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000490759320 255105165 /nfs/dbraw/zinc/10/51/65/255105165.db2.gz CHSNPCWVCJFNJG-IBGZPJMESA-N 2 2 325.456 1.253 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000491699628 255142798 /nfs/dbraw/zinc/14/27/98/255142798.db2.gz CBDDYOSUUGPGDN-UHFFFAOYSA-N 2 2 329.448 1.177 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000330384642 285334569 /nfs/dbraw/zinc/33/45/69/285334569.db2.gz RIKYQPZVVXSINZ-ZHALLVOQSA-N 2 2 349.523 1.141 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000330384642 285334571 /nfs/dbraw/zinc/33/45/71/285334571.db2.gz RIKYQPZVVXSINZ-ZHALLVOQSA-N 2 2 349.523 1.141 20 30 EDEDLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000333676059 141354911 /nfs/dbraw/zinc/35/49/11/141354911.db2.gz NZKOEMSZHKTTCY-CRAIPNDOSA-N 2 2 341.459 1.383 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000414703152 447317632 /nfs/dbraw/zinc/31/76/32/447317632.db2.gz XUADLBCMIIVSHN-OAHLLOKOSA-N 2 2 345.447 1.417 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176800616 442258841 /nfs/dbraw/zinc/25/88/41/442258841.db2.gz IXMKITWCYGKYGE-HNNXBMFYSA-N 2 2 348.472 1.425 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 ZINC000182000618 442726717 /nfs/dbraw/zinc/72/67/17/442726717.db2.gz IAWUUKINCAXDBY-GOSISDBHSA-N 2 2 338.455 1.876 20 30 EDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N1CC[C@@H](COC)C1 ZINC000262487695 443197641 /nfs/dbraw/zinc/19/76/41/443197641.db2.gz TWQSULPPFSHIFE-OAHLLOKOSA-N 2 2 329.448 1.888 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264137731 443252989 /nfs/dbraw/zinc/25/29/89/443252989.db2.gz VTCWJVMKIZQWRM-SJORKVTESA-N 3 2 335.471 1.817 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264137731 443252992 /nfs/dbraw/zinc/25/29/92/443252992.db2.gz VTCWJVMKIZQWRM-SJORKVTESA-N 3 2 335.471 1.817 20 30 EDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269409972 443306242 /nfs/dbraw/zinc/30/62/42/443306242.db2.gz IWIQRGGGEFLNOA-KRWDZBQOSA-N 2 2 332.423 1.730 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280555438 443736480 /nfs/dbraw/zinc/73/64/80/443736480.db2.gz UPJDXGRVGCEHHT-YTQUADARSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280555438 443736487 /nfs/dbraw/zinc/73/64/87/443736487.db2.gz UPJDXGRVGCEHHT-YTQUADARSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280555438 443736490 /nfs/dbraw/zinc/73/64/90/443736490.db2.gz UPJDXGRVGCEHHT-YTQUADARSA-N 2 2 340.471 1.811 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280555438 443736495 /nfs/dbraw/zinc/73/64/95/443736495.db2.gz UPJDXGRVGCEHHT-YTQUADARSA-N 2 2 340.471 1.811 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455946 443917390 /nfs/dbraw/zinc/91/73/90/443917390.db2.gz VAMMSSVOUVDHRD-ROUUACIJSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000281455946 443917393 /nfs/dbraw/zinc/91/73/93/443917393.db2.gz VAMMSSVOUVDHRD-ROUUACIJSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455946 443917395 /nfs/dbraw/zinc/91/73/95/443917395.db2.gz VAMMSSVOUVDHRD-ROUUACIJSA-N 2 2 328.460 1.622 20 30 EDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000281455946 443917398 /nfs/dbraw/zinc/91/73/98/443917398.db2.gz VAMMSSVOUVDHRD-ROUUACIJSA-N 2 2 328.460 1.622 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436458 444143140 /nfs/dbraw/zinc/14/31/40/444143140.db2.gz WDHQXKDDGVFMDJ-HUUCEWRRSA-N 2 2 345.447 1.361 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436458 444143145 /nfs/dbraw/zinc/14/31/45/444143145.db2.gz WDHQXKDDGVFMDJ-HUUCEWRRSA-N 2 2 345.447 1.361 20 30 EDEDLP C#CCCOc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000295317319 444177636 /nfs/dbraw/zinc/17/76/36/444177636.db2.gz OPEFWUCXQCBVJA-UHFFFAOYSA-N 2 2 343.471 1.845 20 30 EDEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331242239 444456192 /nfs/dbraw/zinc/45/61/92/444456192.db2.gz NJFVSYLSHXGIIH-BPUTZDHNSA-N 2 2 347.463 1.445 20 30 EDEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000331242239 444456196 /nfs/dbraw/zinc/45/61/96/444456196.db2.gz NJFVSYLSHXGIIH-BPUTZDHNSA-N 2 2 347.463 1.445 20 30 EDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000331242239 444456198 /nfs/dbraw/zinc/45/61/98/444456198.db2.gz NJFVSYLSHXGIIH-BPUTZDHNSA-N 2 2 347.463 1.445 20 30 EDEDLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000331242239 444456202 /nfs/dbraw/zinc/45/62/02/444456202.db2.gz NJFVSYLSHXGIIH-BPUTZDHNSA-N 2 2 347.463 1.445 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000340993076 444619870 /nfs/dbraw/zinc/61/98/70/444619870.db2.gz KUKMRUIPPRPJEM-GOSISDBHSA-N 2 2 343.475 1.042 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000340993076 444619871 /nfs/dbraw/zinc/61/98/71/444619871.db2.gz KUKMRUIPPRPJEM-GOSISDBHSA-N 2 2 343.475 1.042 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000330384640 444961581 /nfs/dbraw/zinc/96/15/81/444961581.db2.gz RIKYQPZVVXSINZ-LMMKCTJWSA-N 2 2 349.523 1.141 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000330384640 444961585 /nfs/dbraw/zinc/96/15/85/444961585.db2.gz RIKYQPZVVXSINZ-LMMKCTJWSA-N 2 2 349.523 1.141 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OCC ZINC000339359008 445133729 /nfs/dbraw/zinc/13/37/29/445133729.db2.gz BNJWCGVCRRLVEW-QGZVFWFLSA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OCC ZINC000339359008 445133733 /nfs/dbraw/zinc/13/37/33/445133733.db2.gz BNJWCGVCRRLVEW-QGZVFWFLSA-N 2 2 325.497 1.842 20 30 EDEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725897 445578180 /nfs/dbraw/zinc/57/81/80/445578180.db2.gz ZICOWBXLFOIHDD-IBGZPJMESA-N 2 2 348.487 1.543 20 30 EDEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725897 445578186 /nfs/dbraw/zinc/57/81/86/445578186.db2.gz ZICOWBXLFOIHDD-IBGZPJMESA-N 2 2 348.487 1.543 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000364353447 445914683 /nfs/dbraw/zinc/91/46/83/445914683.db2.gz MYGPZWFRPQKNDI-LUKYLMHMSA-N 2 2 336.480 1.226 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)N(C)CCC#N ZINC000364353447 445914690 /nfs/dbraw/zinc/91/46/90/445914690.db2.gz MYGPZWFRPQKNDI-LUKYLMHMSA-N 2 2 336.480 1.226 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364702955 445947561 /nfs/dbraw/zinc/94/75/61/445947561.db2.gz BDZOVTBRAGAKES-XYJFISCASA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364702955 445947566 /nfs/dbraw/zinc/94/75/66/445947566.db2.gz BDZOVTBRAGAKES-XYJFISCASA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364702955 445947568 /nfs/dbraw/zinc/94/75/68/445947568.db2.gz BDZOVTBRAGAKES-XYJFISCASA-N 2 2 345.491 1.263 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364702955 445947572 /nfs/dbraw/zinc/94/75/72/445947572.db2.gz BDZOVTBRAGAKES-XYJFISCASA-N 2 2 345.491 1.263 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3OCC#N)C2)CC1 ZINC000369274550 446040038 /nfs/dbraw/zinc/04/00/38/446040038.db2.gz QATLVVBHSBPSIR-HNNXBMFYSA-N 2 2 342.443 1.487 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3OCC#N)C2)CC1 ZINC000369274550 446040042 /nfs/dbraw/zinc/04/00/42/446040042.db2.gz QATLVVBHSBPSIR-HNNXBMFYSA-N 2 2 342.443 1.487 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367619827 446567873 /nfs/dbraw/zinc/56/78/73/446567873.db2.gz WQBOUBHUQOCMHS-MJGOQNOKSA-N 2 2 348.535 1.676 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367619827 446567880 /nfs/dbraw/zinc/56/78/80/446567880.db2.gz WQBOUBHUQOCMHS-MJGOQNOKSA-N 2 2 348.535 1.676 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376698906 446659999 /nfs/dbraw/zinc/65/99/99/446659999.db2.gz FTXDPBUPYMXYMS-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376698906 446660003 /nfs/dbraw/zinc/66/00/03/446660003.db2.gz FTXDPBUPYMXYMS-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375507058 446859082 /nfs/dbraw/zinc/85/90/82/446859082.db2.gz FYOIZCTUJCNLEU-DVOMOZLQSA-N 2 2 336.505 1.942 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375507058 446859088 /nfs/dbraw/zinc/85/90/88/446859088.db2.gz FYOIZCTUJCNLEU-DVOMOZLQSA-N 2 2 336.505 1.942 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441035866 446862432 /nfs/dbraw/zinc/86/24/32/446862432.db2.gz VZVHGGZVVAUDAL-UHFFFAOYSA-N 2 2 349.523 1.239 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983472 447191539 /nfs/dbraw/zinc/19/15/39/447191539.db2.gz DCYOIMZKUTYRFL-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983472 447191545 /nfs/dbraw/zinc/19/15/45/447191545.db2.gz DCYOIMZKUTYRFL-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375983472 447191550 /nfs/dbraw/zinc/19/15/50/447191550.db2.gz DCYOIMZKUTYRFL-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375983472 447191559 /nfs/dbraw/zinc/19/15/59/447191559.db2.gz DCYOIMZKUTYRFL-FUHIMQAGSA-N 2 2 342.487 1.956 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000490912619 447908794 /nfs/dbraw/zinc/90/87/94/447908794.db2.gz APWUJTJAZBPXJB-QGZVFWFLSA-N 2 2 343.471 1.902 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000491294879 447984051 /nfs/dbraw/zinc/98/40/51/447984051.db2.gz DSJUENJKOXBCGV-SJORKVTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000491240750 447968379 /nfs/dbraw/zinc/96/83/79/447968379.db2.gz CKAADYYJNXMZKB-FXAWDEMLSA-N 2 2 343.471 1.208 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000491240750 447968384 /nfs/dbraw/zinc/96/83/84/447968384.db2.gz CKAADYYJNXMZKB-FXAWDEMLSA-N 2 2 343.471 1.208 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000491240753 447968890 /nfs/dbraw/zinc/96/88/90/447968890.db2.gz CKAADYYJNXMZKB-YLJYHZDGSA-N 2 2 343.471 1.208 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000491240753 447968897 /nfs/dbraw/zinc/96/88/97/447968897.db2.gz CKAADYYJNXMZKB-YLJYHZDGSA-N 2 2 343.471 1.208 20 30 EDEDLP C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496963055 448076390 /nfs/dbraw/zinc/07/63/90/448076390.db2.gz NXDDMEDKAVDMEU-IBGZPJMESA-N 2 2 340.427 1.864 20 30 EDEDLP C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496963055 448076396 /nfs/dbraw/zinc/07/63/96/448076396.db2.gz NXDDMEDKAVDMEU-IBGZPJMESA-N 2 2 340.427 1.864 20 30 EDEDLP C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597992921 449176559 /nfs/dbraw/zinc/17/65/59/449176559.db2.gz PJVBMLJUFIMMJY-MRXNPFEDSA-N 2 2 330.476 1.737 20 30 EDEDLP C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597992921 449176564 /nfs/dbraw/zinc/17/65/64/449176564.db2.gz PJVBMLJUFIMMJY-MRXNPFEDSA-N 2 2 330.476 1.737 20 30 EDEDLP N#Cc1cc(C[NH+]2CCOCC2)cn(CC[NH+]2CCCCC2)c1=O ZINC000596285200 449456362 /nfs/dbraw/zinc/45/63/62/449456362.db2.gz IZWWNWCOEDGSFZ-UHFFFAOYSA-N 2 2 330.432 1.038 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC000612129935 449575734 /nfs/dbraw/zinc/57/57/34/449575734.db2.gz KHWBATFYCCHSHL-MAUKXSAKSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@](C)(C#N)C3)C2)CC1 ZINC000612129935 449575740 /nfs/dbraw/zinc/57/57/40/449575740.db2.gz KHWBATFYCCHSHL-MAUKXSAKSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601116737 449699502 /nfs/dbraw/zinc/69/95/02/449699502.db2.gz PNVQOLIPKVLKBA-CQSZACIVSA-N 2 2 326.448 1.806 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601116737 449699506 /nfs/dbraw/zinc/69/95/06/449699506.db2.gz PNVQOLIPKVLKBA-CQSZACIVSA-N 2 2 326.448 1.806 20 30 EDEDLP Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820641 449729291 /nfs/dbraw/zinc/72/92/91/449729291.db2.gz DUAFMADWQADYEM-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820641 449729296 /nfs/dbraw/zinc/72/92/96/449729296.db2.gz DUAFMADWQADYEM-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910333 450375861 /nfs/dbraw/zinc/37/58/61/450375861.db2.gz PHUWDTJHAWFDMT-RBSFLKMASA-N 2 2 330.407 1.612 20 30 EDEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC[NH2+]1 ZINC000662665808 453380893 /nfs/dbraw/zinc/38/08/93/453380893.db2.gz IYMPZTPYKBEXGW-FQEVSTJZSA-N 2 2 343.471 1.908 20 30 EDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000177909615 526455240 /nfs/dbraw/zinc/45/52/40/526455240.db2.gz MONPYNGLUAKZFC-CQSZACIVSA-N 2 2 337.489 1.896 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000742783174 579462399 /nfs/dbraw/zinc/46/23/99/579462399.db2.gz MEKLQSNYGVYUDS-SFHVURJKSA-N 2 2 336.439 1.987 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000742783174 579462400 /nfs/dbraw/zinc/46/24/00/579462400.db2.gz MEKLQSNYGVYUDS-SFHVURJKSA-N 2 2 336.439 1.987 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1 ZINC000759605012 580010214 /nfs/dbraw/zinc/01/02/14/580010214.db2.gz OUHKMNUFWGEPFN-NXHRZFHOSA-N 2 2 335.492 1.193 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000738526335 579190581 /nfs/dbraw/zinc/19/05/81/579190581.db2.gz HUKXQYBKYQUQBA-SFHVURJKSA-N 2 2 327.428 1.134 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000738526335 579190582 /nfs/dbraw/zinc/19/05/82/579190582.db2.gz HUKXQYBKYQUQBA-SFHVURJKSA-N 2 2 327.428 1.134 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000754842629 579914112 /nfs/dbraw/zinc/91/41/12/579914112.db2.gz UMUIUHOAMLJWNH-SFHVURJKSA-N 2 2 327.428 1.555 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000754842629 579914113 /nfs/dbraw/zinc/91/41/13/579914113.db2.gz UMUIUHOAMLJWNH-SFHVURJKSA-N 2 2 327.428 1.555 20 30 EDEDLP COC(=O)CC[NH+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761837834 580062549 /nfs/dbraw/zinc/06/25/49/580062549.db2.gz WVUQQXDOMQJFII-UHFFFAOYSA-N 2 2 343.391 1.089 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2)CC1 ZINC000771557716 580288901 /nfs/dbraw/zinc/28/89/01/580288901.db2.gz LOMVBJCVCHMDFO-QZTJIDSGSA-N 3 2 340.475 1.632 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCO1 ZINC000775789287 580400454 /nfs/dbraw/zinc/40/04/54/580400454.db2.gz CHFSZVAJOGSPTL-SJORKVTESA-N 2 2 347.484 1.163 20 30 EDEDLP C[NH+]1CCC(C/[NH+]=C\c2cccc(O)c2O)(N2CCOCC2)CC1 ZINC000840709576 591684410 /nfs/dbraw/zinc/68/44/10/591684410.db2.gz DLCWUBNSQUAVIQ-UYRXBGFRSA-N 2 2 333.432 1.313 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000900006715 591864921 /nfs/dbraw/zinc/86/49/21/591864921.db2.gz DXTOENKKSAQGHO-IBGZPJMESA-N 2 2 345.487 1.992 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619895 592587410 /nfs/dbraw/zinc/58/74/10/592587410.db2.gz NTKKUVGKJMMVJF-ZWKOTPCHSA-N 2 2 345.443 1.141 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905619895 592587414 /nfs/dbraw/zinc/58/74/14/592587414.db2.gz NTKKUVGKJMMVJF-ZWKOTPCHSA-N 2 2 345.443 1.141 20 30 EDEDLP C#CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829779423 594262342 /nfs/dbraw/zinc/26/23/42/594262342.db2.gz UMCSINQXIZHZGA-SFHVURJKSA-N 2 2 340.471 1.856 20 30 EDEDLP C#CC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829779423 594262345 /nfs/dbraw/zinc/26/23/45/594262345.db2.gz UMCSINQXIZHZGA-SFHVURJKSA-N 2 2 340.471 1.856 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826556291 594524764 /nfs/dbraw/zinc/52/47/64/594524764.db2.gz FSLZKUBTRJIJHJ-GOSISDBHSA-N 2 2 331.460 1.430 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826556291 594524766 /nfs/dbraw/zinc/52/47/66/594524766.db2.gz FSLZKUBTRJIJHJ-GOSISDBHSA-N 2 2 331.460 1.430 20 30 EDEDLP CC1CCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000852858189 595579798 /nfs/dbraw/zinc/57/97/98/595579798.db2.gz SXWAYPLSCHECJP-UHFFFAOYSA-N 2 2 340.471 1.937 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000855339974 595677888 /nfs/dbraw/zinc/67/78/88/595677888.db2.gz CVUVFBONSSEXKW-UHFFFAOYSA-N 2 2 326.444 1.643 20 30 EDEDLP N#CCCNC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000852190921 596079879 /nfs/dbraw/zinc/07/98/79/596079879.db2.gz ICFBRPXIEWZIKO-UHFFFAOYSA-N 2 2 325.416 1.847 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000867980095 596643526 /nfs/dbraw/zinc/64/35/26/596643526.db2.gz SMAGTRBIAQWUAP-PMACEKPBSA-N 2 2 346.434 1.918 20 30 EDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884190145 598020451 /nfs/dbraw/zinc/02/04/51/598020451.db2.gz XAQOYZVHPRLMLS-DGSCNEQVSA-N 2 2 329.448 1.553 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccc(C)cc3)C2)CC1 ZINC001031436051 697104052 /nfs/dbraw/zinc/10/40/52/697104052.db2.gz QRXSKPHUBKSTOO-UHFFFAOYSA-N 2 2 325.456 1.641 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2)C1 ZINC001031740919 698312908 /nfs/dbraw/zinc/31/29/08/698312908.db2.gz NSKNNHDKZLHIPQ-SFHVURJKSA-N 2 2 329.419 1.471 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2)C1 ZINC001031740919 698312909 /nfs/dbraw/zinc/31/29/09/698312909.db2.gz NSKNNHDKZLHIPQ-SFHVURJKSA-N 2 2 329.419 1.471 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939407690 699562090 /nfs/dbraw/zinc/56/20/90/699562090.db2.gz ICOZJQFRLOJSFM-LRDDRELGSA-N 2 2 341.390 1.600 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000939527206 699665893 /nfs/dbraw/zinc/66/58/93/699665893.db2.gz CQEZROMHICIOKN-YOEHRIQHSA-N 2 2 325.416 1.894 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621777 699758185 /nfs/dbraw/zinc/75/81/85/699758185.db2.gz DTAQMZOFRHMGEW-ZANVPECISA-N 2 2 341.253 1.606 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000939621991 699758555 /nfs/dbraw/zinc/75/85/55/699758555.db2.gz HHFXKZFHWASIHH-FZKQIMNGSA-N 2 2 337.427 1.769 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850938 700951949 /nfs/dbraw/zinc/95/19/49/700951949.db2.gz QFNMXGVDOYUUOK-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850938 700951950 /nfs/dbraw/zinc/95/19/50/700951950.db2.gz QFNMXGVDOYUUOK-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040981 701095915 /nfs/dbraw/zinc/09/59/15/701095915.db2.gz DMFAZFHXQRWESP-INMHGKMJSA-N 2 2 328.460 1.764 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040981 701095917 /nfs/dbraw/zinc/09/59/17/701095917.db2.gz DMFAZFHXQRWESP-INMHGKMJSA-N 2 2 328.460 1.764 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810936 701204198 /nfs/dbraw/zinc/20/41/98/701204198.db2.gz ZFGNJTSFGOZETC-QAPCUYQASA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810936 701204202 /nfs/dbraw/zinc/20/42/02/701204202.db2.gz ZFGNJTSFGOZETC-QAPCUYQASA-N 2 2 337.427 1.782 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996508671 702829570 /nfs/dbraw/zinc/82/95/70/702829570.db2.gz WNYPTLHIGGKSMJ-INIZCTEOSA-N 2 2 325.416 1.894 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC000996687524 702985078 /nfs/dbraw/zinc/98/50/78/702985078.db2.gz XILXLNAAYAGEKD-KRWDZBQOSA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC000996687524 702985081 /nfs/dbraw/zinc/98/50/81/702985081.db2.gz XILXLNAAYAGEKD-KRWDZBQOSA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000996688425 702985448 /nfs/dbraw/zinc/98/54/48/702985448.db2.gz BXMPEUHNQJDZGY-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000996688425 702985449 /nfs/dbraw/zinc/98/54/49/702985449.db2.gz BXMPEUHNQJDZGY-CJNGLKHVSA-N 2 2 345.447 1.117 20 30 EDEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032480055 703717219 /nfs/dbraw/zinc/71/72/19/703717219.db2.gz SLOBQYSJAYHQTK-FHWLQOOXSA-N 2 2 338.455 1.828 20 30 EDEDLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1 ZINC001032480055 703717220 /nfs/dbraw/zinc/71/72/20/703717220.db2.gz SLOBQYSJAYHQTK-FHWLQOOXSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032480055 703717222 /nfs/dbraw/zinc/71/72/22/703717222.db2.gz SLOBQYSJAYHQTK-FHWLQOOXSA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032480055 703717224 /nfs/dbraw/zinc/71/72/24/703717224.db2.gz SLOBQYSJAYHQTK-FHWLQOOXSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051013 705253011 /nfs/dbraw/zinc/25/30/11/705253011.db2.gz KPBHKQQRPMWZFY-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000998051013 705253012 /nfs/dbraw/zinc/25/30/12/705253012.db2.gz KPBHKQQRPMWZFY-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP N#Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000998181596 705481394 /nfs/dbraw/zinc/48/13/94/705481394.db2.gz HMTNIFBHMXFNDN-UHFFFAOYSA-N 2 2 337.427 1.852 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC000999399792 706894662 /nfs/dbraw/zinc/89/46/62/706894662.db2.gz RCPICYOEIBZAEW-SJORKVTESA-N 2 2 343.475 1.081 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC000999399792 706894666 /nfs/dbraw/zinc/89/46/66/706894666.db2.gz RCPICYOEIBZAEW-SJORKVTESA-N 2 2 343.475 1.081 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033657268 708428184 /nfs/dbraw/zinc/42/81/84/708428184.db2.gz IMTORGHLAVXAIE-QGZVFWFLSA-N 2 2 344.434 1.826 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034363074 709880424 /nfs/dbraw/zinc/88/04/24/709880424.db2.gz KENLRPVOBWDOFZ-HOTGVXAUSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034363074 709880428 /nfs/dbraw/zinc/88/04/28/709880428.db2.gz KENLRPVOBWDOFZ-HOTGVXAUSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363074 709880432 /nfs/dbraw/zinc/88/04/32/709880432.db2.gz KENLRPVOBWDOFZ-HOTGVXAUSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363074 709880436 /nfs/dbraw/zinc/88/04/36/709880436.db2.gz KENLRPVOBWDOFZ-HOTGVXAUSA-N 2 2 343.899 1.819 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001003054863 709891865 /nfs/dbraw/zinc/89/18/65/709891865.db2.gz BULAWMWOODBBIP-KRWDZBQOSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001003054863 709891870 /nfs/dbraw/zinc/89/18/70/709891870.db2.gz BULAWMWOODBBIP-KRWDZBQOSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034492807 710114704 /nfs/dbraw/zinc/11/47/04/710114704.db2.gz QJEJBUDQSWRHQU-MRXNPFEDSA-N 2 2 337.427 1.875 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034492807 710114706 /nfs/dbraw/zinc/11/47/06/710114706.db2.gz QJEJBUDQSWRHQU-MRXNPFEDSA-N 2 2 337.427 1.875 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497792 710382569 /nfs/dbraw/zinc/38/25/69/710382569.db2.gz YREAIIICBFEPMK-HNNXBMFYSA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497792 710382571 /nfs/dbraw/zinc/38/25/71/710382571.db2.gz YREAIIICBFEPMK-HNNXBMFYSA-N 2 2 329.872 1.429 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003631676 710460638 /nfs/dbraw/zinc/46/06/38/710460638.db2.gz UNLBYRFAUFSFKQ-SMDDNHRTSA-N 2 2 344.297 1.673 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003631676 710460639 /nfs/dbraw/zinc/46/06/39/710460639.db2.gz UNLBYRFAUFSFKQ-SMDDNHRTSA-N 2 2 344.297 1.673 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943121 710914851 /nfs/dbraw/zinc/91/48/51/710914851.db2.gz BYYDSWIYVNFUBQ-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943121 710914854 /nfs/dbraw/zinc/91/48/54/710914854.db2.gz BYYDSWIYVNFUBQ-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943121 710914856 /nfs/dbraw/zinc/91/48/56/710914856.db2.gz BYYDSWIYVNFUBQ-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032943121 710914858 /nfs/dbraw/zinc/91/48/58/710914858.db2.gz BYYDSWIYVNFUBQ-AEFFLSMTSA-N 2 2 344.434 1.824 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645289 712134041 /nfs/dbraw/zinc/13/40/41/712134041.db2.gz PZRHIBDBKZGJTL-YESZJQIVSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645289 712134044 /nfs/dbraw/zinc/13/40/44/712134044.db2.gz PZRHIBDBKZGJTL-YESZJQIVSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649172 712175137 /nfs/dbraw/zinc/17/51/37/712175137.db2.gz OUMNCQKSGPBTAP-ZACQAIPSSA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649172 712175139 /nfs/dbraw/zinc/17/51/39/712175139.db2.gz OUMNCQKSGPBTAP-ZACQAIPSSA-N 2 2 326.444 1.249 20 30 EDEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130772123 529993226 /nfs/dbraw/zinc/99/32/26/529993226.db2.gz CXYQNASQAYKERP-UHFFFAOYSA-N 2 2 336.443 1.732 20 30 EDEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130772123 529993227 /nfs/dbraw/zinc/99/32/27/529993227.db2.gz CXYQNASQAYKERP-UHFFFAOYSA-N 2 2 336.443 1.732 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2ccccc2C#N)CC1 ZINC000177150663 138724327 /nfs/dbraw/zinc/72/43/27/138724327.db2.gz LUIOSAKONKYSIF-UHFFFAOYSA-N 2 2 330.432 1.079 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)CC1 ZINC000374352824 250260927 /nfs/dbraw/zinc/26/09/27/250260927.db2.gz SPXMLVRHCLIKCB-GOSISDBHSA-N 2 2 341.455 1.513 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)CC1 ZINC000490925694 255109629 /nfs/dbraw/zinc/10/96/29/255109629.db2.gz XMZCMUDYXANEIC-UHFFFAOYSA-N 2 2 335.398 1.567 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000491786878 255147521 /nfs/dbraw/zinc/14/75/21/255147521.db2.gz PSHSZWKGBJNXNZ-SFHVURJKSA-N 2 2 326.444 1.038 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000491786878 255147523 /nfs/dbraw/zinc/14/75/23/255147523.db2.gz PSHSZWKGBJNXNZ-SFHVURJKSA-N 2 2 326.444 1.038 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H](C)c2ccccc2)CC1 ZINC000491630662 255134322 /nfs/dbraw/zinc/13/43/22/255134322.db2.gz NHNVOGFOLRUJOF-SFHVURJKSA-N 2 2 343.471 1.473 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H](C)c2ccccc2)CC1 ZINC000491630662 255134324 /nfs/dbraw/zinc/13/43/24/255134324.db2.gz NHNVOGFOLRUJOF-SFHVURJKSA-N 2 2 343.471 1.473 20 30 EDEDLP Cn1cc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271863497 140362829 /nfs/dbraw/zinc/36/28/29/140362829.db2.gz LAFKEINIJSPAPN-IBGZPJMESA-N 2 2 339.443 1.579 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCCOCC3)CC2)cc1 ZINC000289513943 270010411 /nfs/dbraw/zinc/01/04/11/270010411.db2.gz UXHTTZWQWBBTAE-UHFFFAOYSA-N 2 2 342.487 1.835 20 30 EDEDLP C[N@H+]([C@H]1CCN(c2sccc2C#N)C1=O)C1CC[NH+](CCO)CC1 ZINC000434842417 267327465 /nfs/dbraw/zinc/32/74/65/267327465.db2.gz PQOHBTJFUJDJTI-HNNXBMFYSA-N 2 2 348.472 1.114 20 30 EDEDLP C[N@@H+]([C@H]1CCN(c2sccc2C#N)C1=O)C1CC[NH+](CCO)CC1 ZINC000434842417 267327467 /nfs/dbraw/zinc/32/74/67/267327467.db2.gz PQOHBTJFUJDJTI-HNNXBMFYSA-N 2 2 348.472 1.114 20 30 EDEDLP C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378348154 447420831 /nfs/dbraw/zinc/42/08/31/447420831.db2.gz FSZASNNQFNZOOD-FQEVSTJZSA-N 2 2 345.487 1.700 20 30 EDEDLP C=CCOc1cccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378348154 447420833 /nfs/dbraw/zinc/42/08/33/447420833.db2.gz FSZASNNQFNZOOD-FQEVSTJZSA-N 2 2 345.487 1.700 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000050796868 441389402 /nfs/dbraw/zinc/38/94/02/441389402.db2.gz MQSVHTOPYCEZIH-UHFFFAOYSA-N 3 2 346.519 1.006 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000115351952 441729165 /nfs/dbraw/zinc/72/91/65/441729165.db2.gz GJUHEGNAAVSNJG-UHFFFAOYSA-N 2 2 327.432 1.242 20 30 EDEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000173642631 441811126 /nfs/dbraw/zinc/81/11/26/441811126.db2.gz STRYWYYEIBTJGQ-AWEZNQCLSA-N 2 2 330.432 1.586 20 30 EDEDLP N#C[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000192787531 442686531 /nfs/dbraw/zinc/68/65/31/442686531.db2.gz MZDJBQLEMGGGMG-IRXDYDNUSA-N 2 2 341.459 1.792 20 30 EDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000181302920 442689036 /nfs/dbraw/zinc/68/90/36/442689036.db2.gz CTWHAEDQBJSCCH-UHFFFAOYSA-N 2 2 343.471 1.774 20 30 EDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000181302920 442689037 /nfs/dbraw/zinc/68/90/37/442689037.db2.gz CTWHAEDQBJSCCH-UHFFFAOYSA-N 2 2 343.471 1.774 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000180947421 442670905 /nfs/dbraw/zinc/67/09/05/442670905.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000180947421 442670908 /nfs/dbraw/zinc/67/09/08/442670908.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000180947421 442670910 /nfs/dbraw/zinc/67/09/10/442670910.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000180947421 442670913 /nfs/dbraw/zinc/67/09/13/442670913.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP Cc1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1C ZINC000181882245 442720674 /nfs/dbraw/zinc/72/06/74/442720674.db2.gz XWQUSXUTBURPDC-UHFFFAOYSA-N 2 2 342.447 1.947 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000298618531 443818416 /nfs/dbraw/zinc/81/84/16/443818416.db2.gz OAMSEAPJMBPZPF-QGZVFWFLSA-N 2 2 338.496 1.316 20 30 EDEDLP CN(C)c1cc(C#N)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000293535281 444046514 /nfs/dbraw/zinc/04/65/14/444046514.db2.gz YZXZZWYDJNEONY-UHFFFAOYSA-N 2 2 343.475 1.380 20 30 EDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000553425717 320942455 /nfs/dbraw/zinc/94/24/55/320942455.db2.gz XOZZJWVKDHIUFD-QGZVFWFLSA-N 2 2 347.426 1.831 20 30 EDEDLP Cc1nnccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000328603800 444391018 /nfs/dbraw/zinc/39/10/18/444391018.db2.gz IBRSHZFAKOQIAD-UHFFFAOYSA-N 2 2 332.452 1.670 20 30 EDEDLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329378159 444556734 /nfs/dbraw/zinc/55/67/34/444556734.db2.gz OVVZOCHIEZZWPR-AWEZNQCLSA-N 2 2 329.448 1.801 20 30 EDEDLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329378159 444556735 /nfs/dbraw/zinc/55/67/35/444556735.db2.gz OVVZOCHIEZZWPR-AWEZNQCLSA-N 2 2 329.448 1.801 20 30 EDEDLP CN(C)c1cnc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000329394403 444561918 /nfs/dbraw/zinc/56/19/18/444561918.db2.gz VEJXTGHXJZTLMV-UHFFFAOYSA-N 2 2 346.479 1.406 20 30 EDEDLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000329522903 444614345 /nfs/dbraw/zinc/61/43/45/444614345.db2.gz PQHYVUHQYWTVCU-HNNXBMFYSA-N 2 2 347.463 1.265 20 30 EDEDLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000329522903 444614348 /nfs/dbraw/zinc/61/43/48/444614348.db2.gz PQHYVUHQYWTVCU-HNNXBMFYSA-N 2 2 347.463 1.265 20 30 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C=CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369938706 446169484 /nfs/dbraw/zinc/16/94/84/446169484.db2.gz ZQGCOPUQMZOLGN-MOPGFXCFSA-N 2 2 343.471 1.606 20 30 EDEDLP C=CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369938706 446169488 /nfs/dbraw/zinc/16/94/88/446169488.db2.gz ZQGCOPUQMZOLGN-MOPGFXCFSA-N 2 2 343.471 1.606 20 30 EDEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997004 446502597 /nfs/dbraw/zinc/50/25/97/446502597.db2.gz IRVOYDWZIYNJCT-UHFFFAOYSA-N 2 2 333.407 1.356 20 30 EDEDLP C#CCOc1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371383061 446821236 /nfs/dbraw/zinc/82/12/36/446821236.db2.gz MPLVXYWMEZWSMM-HXUWFJFHSA-N 2 2 343.471 1.147 20 30 EDEDLP C=CCN(CC=C)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421009848 446984157 /nfs/dbraw/zinc/98/41/57/446984157.db2.gz NWSCGENRUADWAR-UHFFFAOYSA-N 2 2 348.535 1.679 20 30 EDEDLP C=CCN(CC=C)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421009848 446984163 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EDEDLP C#CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000491393552 448012757 /nfs/dbraw/zinc/01/27/57/448012757.db2.gz IHJRKVQXIWJLFS-UHFFFAOYSA-N 2 2 333.476 1.235 20 30 EDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000514796143 448205847 /nfs/dbraw/zinc/20/58/47/448205847.db2.gz LTYLTTGOPZFTIS-QGZVFWFLSA-N 2 2 347.459 1.341 20 30 EDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000514796143 448205850 /nfs/dbraw/zinc/20/58/50/448205850.db2.gz LTYLTTGOPZFTIS-QGZVFWFLSA-N 2 2 347.459 1.341 20 30 EDEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CCCO1 ZINC000572603115 448420209 /nfs/dbraw/zinc/42/02/09/448420209.db2.gz USXLHQSHEULOBW-CQSZACIVSA-N 2 2 328.420 1.191 20 30 EDEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CCCO1 ZINC000572603115 448420210 /nfs/dbraw/zinc/42/02/10/448420210.db2.gz USXLHQSHEULOBW-CQSZACIVSA-N 2 2 328.420 1.191 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000591502708 448380588 /nfs/dbraw/zinc/38/05/88/448380588.db2.gz MIIOTDGKQPNQQO-MRXNPFEDSA-N 2 2 341.390 1.712 20 30 EDEDLP CC1CC(C#N)(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000535985113 448513993 /nfs/dbraw/zinc/51/39/93/448513993.db2.gz LFUBGOSQVCPJMI-PVOWQQPYSA-N 2 2 330.476 1.696 20 30 EDEDLP CC1CC(C#N)(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000535985113 448513995 /nfs/dbraw/zinc/51/39/95/448513995.db2.gz LFUBGOSQVCPJMI-PVOWQQPYSA-N 2 2 330.476 1.696 20 30 EDEDLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000591934645 448589342 /nfs/dbraw/zinc/58/93/42/448589342.db2.gz TWHRIWKUSHFIMO-KRWDZBQOSA-N 2 2 344.459 1.669 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578999574 448690805 /nfs/dbraw/zinc/69/08/05/448690805.db2.gz MJDQYCKOFDSMJA-HOTGVXAUSA-N 2 2 326.400 1.293 20 30 EDEDLP CN(C(=O)c1cc(O)cc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589189604 448985740 /nfs/dbraw/zinc/98/57/40/448985740.db2.gz KPZGFLCFENJQMM-KRWDZBQOSA-N 2 2 342.443 1.504 20 30 EDEDLP CN(C(=O)c1cc(O)cc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589189604 448985746 /nfs/dbraw/zinc/98/57/46/448985746.db2.gz KPZGFLCFENJQMM-KRWDZBQOSA-N 2 2 342.443 1.504 20 30 EDEDLP CN(C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590948322 449354028 /nfs/dbraw/zinc/35/40/28/449354028.db2.gz FDDFTNJREQIVPZ-MRXNPFEDSA-N 2 2 335.496 1.736 20 30 EDEDLP CN(C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590948322 449354032 /nfs/dbraw/zinc/35/40/32/449354032.db2.gz FDDFTNJREQIVPZ-MRXNPFEDSA-N 2 2 335.496 1.736 20 30 EDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000598713798 449558690 /nfs/dbraw/zinc/55/86/90/449558690.db2.gz DEYYWVYAYXTRGW-GOSISDBHSA-N 2 2 331.460 1.909 20 30 EDEDLP Cc1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C#N ZINC000618195888 450050205 /nfs/dbraw/zinc/05/02/05/450050205.db2.gz URRQHLATJMLNNI-QGZVFWFLSA-N 2 2 337.427 1.881 20 30 EDEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610762469 450326430 /nfs/dbraw/zinc/32/64/30/450326430.db2.gz IELCGVXPLNMMMA-UHFFFAOYSA-N 2 2 335.411 1.392 20 30 EDEDLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000619516705 450498478 /nfs/dbraw/zinc/49/84/78/450498478.db2.gz VHDKUJOCKKRGIR-CQSZACIVSA-N 2 2 343.431 1.163 20 30 EDEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC[NH2+]1 ZINC000662665811 453379409 /nfs/dbraw/zinc/37/94/09/453379409.db2.gz IYMPZTPYKBEXGW-HXUWFJFHSA-N 2 2 343.471 1.908 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662682170 453402046 /nfs/dbraw/zinc/40/20/46/453402046.db2.gz HKUAAHDQQYEMKC-AZUAARDMSA-N 2 2 343.471 1.874 20 30 EDEDLP C=CC[C@]1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662756500 453493604 /nfs/dbraw/zinc/49/36/04/453493604.db2.gz HPOIFXJNSOVCDR-HXUWFJFHSA-N 3 2 348.535 1.751 20 30 EDEDLP C[C@@]1(C2CC2)C[N@H+](CC#CC[NH+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661168675 453744352 /nfs/dbraw/zinc/74/43/52/453744352.db2.gz QCFZUTNCPVEADW-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C[C@@]1(C2CC2)C[N@@H+](CC#CC[NH+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661168675 453744358 /nfs/dbraw/zinc/74/43/58/453744358.db2.gz QCFZUTNCPVEADW-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C[C@@]1(C2CC2)C[NH+](CC#CC[N@@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661168675 453744362 /nfs/dbraw/zinc/74/43/62/453744362.db2.gz QCFZUTNCPVEADW-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP C[C@@]1(C2CC2)C[NH+](CC#CC[N@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661168675 453744367 /nfs/dbraw/zinc/74/43/67/453744367.db2.gz QCFZUTNCPVEADW-BGYRXZFFSA-N 2 2 332.488 1.992 20 30 EDEDLP Cc1noc(C)c1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791936 578282037 /nfs/dbraw/zinc/28/20/37/578282037.db2.gz AKDBEDDRWMZZND-UHFFFAOYSA-N 2 2 344.415 1.961 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000730096877 578613967 /nfs/dbraw/zinc/61/39/67/578613967.db2.gz YJGLJURDKJMSDD-IBGZPJMESA-N 2 2 343.446 1.958 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000730096877 578613969 /nfs/dbraw/zinc/61/39/69/578613969.db2.gz YJGLJURDKJMSDD-IBGZPJMESA-N 2 2 343.446 1.958 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000730096877 578613971 /nfs/dbraw/zinc/61/39/71/578613971.db2.gz YJGLJURDKJMSDD-IBGZPJMESA-N 2 2 343.446 1.958 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000730096877 578613973 /nfs/dbraw/zinc/61/39/73/578613973.db2.gz YJGLJURDKJMSDD-IBGZPJMESA-N 2 2 343.446 1.958 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000730277003 578638501 /nfs/dbraw/zinc/63/85/01/578638501.db2.gz WBRSUMILTKQAGZ-ZBFHGGJFSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000730277003 578638502 /nfs/dbraw/zinc/63/85/02/578638502.db2.gz WBRSUMILTKQAGZ-ZBFHGGJFSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000730277003 578638503 /nfs/dbraw/zinc/63/85/03/578638503.db2.gz WBRSUMILTKQAGZ-ZBFHGGJFSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000730277003 578638504 /nfs/dbraw/zinc/63/85/04/578638504.db2.gz WBRSUMILTKQAGZ-ZBFHGGJFSA-N 2 2 331.485 1.709 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000731374573 578674143 /nfs/dbraw/zinc/67/41/43/578674143.db2.gz WNDAABWBZAFZFL-IRXDYDNUSA-N 2 2 341.459 1.276 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000731374573 578674144 /nfs/dbraw/zinc/67/41/44/578674144.db2.gz WNDAABWBZAFZFL-IRXDYDNUSA-N 2 2 341.459 1.276 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000748812750 579700823 /nfs/dbraw/zinc/70/08/23/579700823.db2.gz FVSVGSZWOJDRKW-GOSISDBHSA-N 2 2 329.419 1.740 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000748812750 579700825 /nfs/dbraw/zinc/70/08/25/579700825.db2.gz FVSVGSZWOJDRKW-GOSISDBHSA-N 2 2 329.419 1.740 20 30 EDEDLP Cn1ccc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000778592781 580468180 /nfs/dbraw/zinc/46/81/80/580468180.db2.gz REOAALHIXHQXNS-UHFFFAOYSA-N 2 2 329.404 1.089 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794593644 580899215 /nfs/dbraw/zinc/89/92/15/580899215.db2.gz NQXJPCQTKOERLQ-MSOLQXFVSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000794593644 580899216 /nfs/dbraw/zinc/89/92/16/580899216.db2.gz NQXJPCQTKOERLQ-MSOLQXFVSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000794593644 580899217 /nfs/dbraw/zinc/89/92/17/580899217.db2.gz NQXJPCQTKOERLQ-MSOLQXFVSA-N 2 2 327.428 1.289 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000794593644 580899218 /nfs/dbraw/zinc/89/92/18/580899218.db2.gz NQXJPCQTKOERLQ-MSOLQXFVSA-N 2 2 327.428 1.289 20 30 EDEDLP Cn1c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000898632771 591454549 /nfs/dbraw/zinc/45/45/49/591454549.db2.gz HEERKNKRRPNFDJ-UHFFFAOYSA-N 2 2 340.431 1.565 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000900191564 591935602 /nfs/dbraw/zinc/93/56/02/591935602.db2.gz DINWHIZGHSZWEE-IBGZPJMESA-N 2 2 345.487 1.992 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000905455496 592540467 /nfs/dbraw/zinc/54/04/67/592540467.db2.gz YQEILIGKFPLOOO-MSOLQXFVSA-N 2 2 327.432 1.420 20 30 EDEDLP CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841816685 594957605 /nfs/dbraw/zinc/95/76/05/594957605.db2.gz DFUXTELQMAZGOI-JKSUJKDBSA-N 2 2 345.447 1.152 20 30 EDEDLP CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841816685 594957606 /nfs/dbraw/zinc/95/76/06/594957606.db2.gz DFUXTELQMAZGOI-JKSUJKDBSA-N 2 2 345.447 1.152 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000112920634 595569371 /nfs/dbraw/zinc/56/93/71/595569371.db2.gz ZCPJTTPTXWJLDX-UHFFFAOYSA-N 2 2 326.444 1.384 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2coc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000866114280 596793423 /nfs/dbraw/zinc/79/34/23/596793423.db2.gz GRJFGDLVSCINPH-UHFFFAOYSA-N 2 2 330.432 1.831 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000876801587 597344673 /nfs/dbraw/zinc/34/46/73/597344673.db2.gz FUUVXDLVRPSTFB-FVQBIDKESA-N 2 2 332.835 1.532 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000876801587 597344679 /nfs/dbraw/zinc/34/46/79/597344679.db2.gz FUUVXDLVRPSTFB-FVQBIDKESA-N 2 2 332.835 1.532 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000883131014 597660775 /nfs/dbraw/zinc/66/07/75/597660775.db2.gz BCIQWLGDGIJGOM-UHFFFAOYSA-N 2 2 329.853 1.032 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000883131014 597660777 /nfs/dbraw/zinc/66/07/77/597660777.db2.gz BCIQWLGDGIJGOM-UHFFFAOYSA-N 2 2 329.853 1.032 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939856459 699995024 /nfs/dbraw/zinc/99/50/24/699995024.db2.gz MISQFXMJWDVSSG-SUMWQHHRSA-N 2 2 341.390 1.531 20 30 EDEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939856933 699996139 /nfs/dbraw/zinc/99/61/39/699996139.db2.gz QPBMOYUAILJAJT-DYVFJYSZSA-N 2 2 341.390 1.531 20 30 EDEDLP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC001031775564 699159096 /nfs/dbraw/zinc/15/90/96/699159096.db2.gz HEMNEDCLPHCIGI-GOSISDBHSA-N 2 2 349.438 1.565 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000939413941 699566896 /nfs/dbraw/zinc/56/68/96/699566896.db2.gz SJACRHUFRCDNIM-BXUZGUMPSA-N 2 2 329.429 1.522 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939536283 699677396 /nfs/dbraw/zinc/67/73/96/699677396.db2.gz VIYLBIWHUOMESS-KSSFIOAISA-N 2 2 337.427 1.471 20 30 EDEDLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032206184 702133012 /nfs/dbraw/zinc/13/30/12/702133012.db2.gz UGRFNBWIEIYUMD-FQEVSTJZSA-N 2 2 339.483 1.961 20 30 EDEDLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032206184 702133015 /nfs/dbraw/zinc/13/30/15/702133015.db2.gz UGRFNBWIEIYUMD-FQEVSTJZSA-N 2 2 339.483 1.961 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2coc(C)n2)C(C)(C)C1 ZINC000995927503 702256591 /nfs/dbraw/zinc/25/65/91/702256591.db2.gz YAPKOSVPUFBQLS-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2coc(C)n2)C(C)(C)C1 ZINC000995927503 702256598 /nfs/dbraw/zinc/25/65/98/702256598.db2.gz YAPKOSVPUFBQLS-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000922724378 704284150 /nfs/dbraw/zinc/28/41/50/704284150.db2.gz IAJAVCJGWIJLIO-HOJAQTOUSA-N 2 2 341.455 1.916 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997872199 704777871 /nfs/dbraw/zinc/77/78/71/704777871.db2.gz WECHTNKPULCSDE-GOEBONIOSA-N 2 2 343.899 1.676 20 30 EDEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997872199 704777874 /nfs/dbraw/zinc/77/78/74/704777874.db2.gz WECHTNKPULCSDE-GOEBONIOSA-N 2 2 343.899 1.676 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000999313932 706817388 /nfs/dbraw/zinc/81/73/88/706817388.db2.gz BXQQKHPTXAMJMM-SFHVURJKSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000999313932 706817391 /nfs/dbraw/zinc/81/73/91/706817391.db2.gz BXQQKHPTXAMJMM-SFHVURJKSA-N 2 2 337.427 1.995 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278878 707346567 /nfs/dbraw/zinc/34/65/67/707346567.db2.gz SMDZAJAOHHJJDI-GWUWNPHMSA-N 2 2 339.867 1.135 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278878 707346570 /nfs/dbraw/zinc/34/65/70/707346570.db2.gz SMDZAJAOHHJJDI-GWUWNPHMSA-N 2 2 339.867 1.135 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278878 707346575 /nfs/dbraw/zinc/34/65/75/707346575.db2.gz SMDZAJAOHHJJDI-GWUWNPHMSA-N 2 2 339.867 1.135 20 30 EDEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278878 707346579 /nfs/dbraw/zinc/34/65/79/707346579.db2.gz SMDZAJAOHHJJDI-GWUWNPHMSA-N 2 2 339.867 1.135 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033471285 707933959 /nfs/dbraw/zinc/93/39/59/707933959.db2.gz DNDCIMCAZRXLNG-QGZVFWFLSA-N 2 2 335.492 1.740 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033471285 707933963 /nfs/dbraw/zinc/93/39/63/707933963.db2.gz DNDCIMCAZRXLNG-QGZVFWFLSA-N 2 2 335.492 1.740 20 30 EDEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005430589 708988507 /nfs/dbraw/zinc/98/85/07/708988507.db2.gz AQJOAXRXJNLLEB-UHFFFAOYSA-N 2 2 328.460 1.708 20 30 EDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213044 709564403 /nfs/dbraw/zinc/56/44/03/709564403.db2.gz ONNVSKHUPWTEOT-FGTMMUONSA-N 2 2 340.471 1.758 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213044 709564405 /nfs/dbraw/zinc/56/44/05/709564405.db2.gz ONNVSKHUPWTEOT-FGTMMUONSA-N 2 2 340.471 1.758 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032968524 711042799 /nfs/dbraw/zinc/04/27/99/711042799.db2.gz QXYZTNMQRPZPDU-XJKSGUPXSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032968524 711042803 /nfs/dbraw/zinc/04/28/03/711042803.db2.gz QXYZTNMQRPZPDU-XJKSGUPXSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968524 711042808 /nfs/dbraw/zinc/04/28/08/711042808.db2.gz QXYZTNMQRPZPDU-XJKSGUPXSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968524 711042813 /nfs/dbraw/zinc/04/28/13/711042813.db2.gz QXYZTNMQRPZPDU-XJKSGUPXSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032968634 711043408 /nfs/dbraw/zinc/04/34/08/711043408.db2.gz SFTPBANEXCQSQD-OALUTQOASA-N 2 2 343.446 1.804 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032968634 711043414 /nfs/dbraw/zinc/04/34/14/711043414.db2.gz SFTPBANEXCQSQD-OALUTQOASA-N 2 2 343.446 1.804 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032968634 711043420 /nfs/dbraw/zinc/04/34/20/711043420.db2.gz SFTPBANEXCQSQD-OALUTQOASA-N 2 2 343.446 1.804 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473130 711849791 /nfs/dbraw/zinc/84/97/91/711849791.db2.gz LAKZUXHAXDJIMQ-MSOLQXFVSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001004473130 711849794 /nfs/dbraw/zinc/84/97/94/711849794.db2.gz LAKZUXHAXDJIMQ-MSOLQXFVSA-N 2 2 340.471 1.782 20 30 EDEDLP Fc1ccc(C#CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000370418869 250205917 /nfs/dbraw/zinc/20/59/17/250205917.db2.gz PARNGULDVKHWMH-UHFFFAOYSA-N 2 2 345.462 1.517 20 30 EDEDLP Fc1ccc(C#CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000370418869 250205921 /nfs/dbraw/zinc/20/59/21/250205921.db2.gz PARNGULDVKHWMH-UHFFFAOYSA-N 2 2 345.462 1.517 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000490925721 255109698 /nfs/dbraw/zinc/10/96/98/255109698.db2.gz XXGIJSLKHQNBKN-HXUWFJFHSA-N 2 2 341.455 1.513 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000491637018 255135509 /nfs/dbraw/zinc/13/55/09/255135509.db2.gz WKUNDASKHNQUEY-IBGZPJMESA-N 2 2 338.455 1.789 20 30 EDEDLP CN(C(=O)c1cccc(F)c1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369962922 155255116 /nfs/dbraw/zinc/25/51/16/155255116.db2.gz AVQQWUXFQPVNLJ-OAHLLOKOSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1cccc(F)c1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369962922 155255120 /nfs/dbraw/zinc/25/51/20/155255120.db2.gz AVQQWUXFQPVNLJ-OAHLLOKOSA-N 2 2 344.434 1.938 20 30 EDEDLP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643721 151097433 /nfs/dbraw/zinc/09/74/33/151097433.db2.gz AVZAEKJLJUUWFW-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643721 151097436 /nfs/dbraw/zinc/09/74/36/151097436.db2.gz AVZAEKJLJUUWFW-UHFFFAOYSA-N 2 2 330.432 1.275 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000364299995 153200294 /nfs/dbraw/zinc/20/02/94/153200294.db2.gz FYSROTLVFYCYGU-BGYRXZFFSA-N 2 2 340.471 1.539 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000364299995 153200296 /nfs/dbraw/zinc/20/02/96/153200296.db2.gz FYSROTLVFYCYGU-BGYRXZFFSA-N 2 2 340.471 1.539 20 30 EDEDLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287974091 269834723 /nfs/dbraw/zinc/83/47/23/269834723.db2.gz JECMZFRHSRQWCY-HNNXBMFYSA-N 2 2 329.448 1.336 20 30 EDEDLP Cc1cc(N2CCC(C(=O)NCC[NH+](C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301784043 267333885 /nfs/dbraw/zinc/33/38/85/267333885.db2.gz ODLNLPQKCUBCLW-UHFFFAOYSA-N 2 2 329.448 1.464 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000299568410 268065415 /nfs/dbraw/zinc/06/54/15/268065415.db2.gz AZKCRKFGEVXDQW-UHFFFAOYSA-N 2 2 337.427 1.879 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000299568410 268065417 /nfs/dbraw/zinc/06/54/17/268065417.db2.gz AZKCRKFGEVXDQW-UHFFFAOYSA-N 2 2 337.427 1.879 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316508 441753456 /nfs/dbraw/zinc/75/34/56/441753456.db2.gz XGXRUMKBKCCFHV-CQSZACIVSA-N 2 2 345.447 1.667 20 30 EDEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000125254959 442003223 /nfs/dbraw/zinc/00/32/23/442003223.db2.gz YRLMNLDIWIIFEN-IBGZPJMESA-N 2 2 347.422 1.881 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(C)(C#N)CC3)CC2)CC1 ZINC000378592964 447446043 /nfs/dbraw/zinc/44/60/43/447446043.db2.gz VESMQCDIJBRSKZ-UHFFFAOYSA-N 2 2 347.507 1.880 20 30 EDEDLP CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261987884 443178222 /nfs/dbraw/zinc/17/82/22/443178222.db2.gz QNXZGZOQASUFTD-UONOGXRCSA-N 2 2 334.468 1.114 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000276352605 443689508 /nfs/dbraw/zinc/68/95/08/443689508.db2.gz HVHXORWFAOYJBB-PMPSAXMXSA-N 2 2 332.427 1.708 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000276352605 443689511 /nfs/dbraw/zinc/68/95/11/443689511.db2.gz HVHXORWFAOYJBB-PMPSAXMXSA-N 2 2 332.427 1.708 20 30 EDEDLP C#CCNC(=O)CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292900855 443873726 /nfs/dbraw/zinc/87/37/26/443873726.db2.gz WBDBFGZHLHICQN-UHFFFAOYSA-N 2 2 328.460 1.759 20 30 EDEDLP C#CCNC(=O)CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292900855 443873730 /nfs/dbraw/zinc/87/37/30/443873730.db2.gz WBDBFGZHLHICQN-UHFFFAOYSA-N 2 2 328.460 1.759 20 30 EDEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570938874 321365140 /nfs/dbraw/zinc/36/51/40/321365140.db2.gz AUIIZTKWFMJPRJ-GOSISDBHSA-N 2 2 344.459 1.521 20 30 EDEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000570938874 321365141 /nfs/dbraw/zinc/36/51/41/321365141.db2.gz AUIIZTKWFMJPRJ-GOSISDBHSA-N 2 2 344.459 1.521 20 30 EDEDLP NC(=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000289439431 444144873 /nfs/dbraw/zinc/14/48/73/444144873.db2.gz TUAISZBONFCUMM-SJORKVTESA-N 2 2 333.432 1.745 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328947121 444417401 /nfs/dbraw/zinc/41/74/01/444417401.db2.gz GRRIITPVHMYBLF-GVDBMIGSSA-N 2 2 339.480 1.289 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328947121 444417403 /nfs/dbraw/zinc/41/74/03/444417403.db2.gz GRRIITPVHMYBLF-GVDBMIGSSA-N 2 2 339.480 1.289 20 30 EDEDLP Cn1cc[nH+]c1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000331909602 444490993 /nfs/dbraw/zinc/49/09/93/444490993.db2.gz XSFYFNZOCZFLHA-UHFFFAOYSA-N 2 2 331.464 1.638 20 30 EDEDLP CCOC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)([NH+]2CCOCC2)C1 ZINC000329897579 444757869 /nfs/dbraw/zinc/75/78/69/444757869.db2.gz LLEPIJLHVPQUSE-CKDBGZEDSA-N 2 2 325.453 1.307 20 30 EDEDLP CCOC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)([NH+]2CCOCC2)C1 ZINC000329897579 444757872 /nfs/dbraw/zinc/75/78/72/444757872.db2.gz LLEPIJLHVPQUSE-CKDBGZEDSA-N 2 2 325.453 1.307 20 30 EDEDLP C[NH+]1CC[C@]2(CC[NH+](CC#CCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366512256 446244405 /nfs/dbraw/zinc/24/44/05/446244405.db2.gz AHLSMANGPXCZAF-PMACEKPBSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@]2(CC[NH+](CC#CCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512256 446244408 /nfs/dbraw/zinc/24/44/08/446244408.db2.gz AHLSMANGPXCZAF-PMACEKPBSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@]2(CCN(CC#CC[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366512256 446244409 /nfs/dbraw/zinc/24/44/09/446244409.db2.gz AHLSMANGPXCZAF-PMACEKPBSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CC[C@]2(CCN(CC#CC[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366512256 446244412 /nfs/dbraw/zinc/24/44/12/446244412.db2.gz AHLSMANGPXCZAF-PMACEKPBSA-N 3 2 330.520 1.045 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000365790980 446345267 /nfs/dbraw/zinc/34/52/67/446345267.db2.gz KQYLOZJUYMAOBU-UHFFFAOYSA-N 2 2 329.448 1.566 20 30 EDEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000442784919 446967110 /nfs/dbraw/zinc/96/71/10/446967110.db2.gz UQNXTKHDUVPRDR-HZPDHXFCSA-N 2 2 327.432 1.402 20 30 EDEDLP C[C@H]1CN(C(=O)c2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375783772 447044459 /nfs/dbraw/zinc/04/44/59/447044459.db2.gz AESNYTPSFCRPCI-HNNXBMFYSA-N 2 2 326.444 1.799 20 30 EDEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000372663042 447211764 /nfs/dbraw/zinc/21/17/64/447211764.db2.gz IKHKOHFCOWYITK-FXAWDEMLSA-N 2 2 342.487 1.958 20 30 EDEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)C1 ZINC000372663042 447211769 /nfs/dbraw/zinc/21/17/69/447211769.db2.gz IKHKOHFCOWYITK-FXAWDEMLSA-N 2 2 342.487 1.958 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000491164931 447944701 /nfs/dbraw/zinc/94/47/01/447944701.db2.gz GVKAHXQXEIABSE-VQTJNVASSA-N 2 2 343.471 1.112 20 30 EDEDLP C#CC[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000491394460 448011784 /nfs/dbraw/zinc/01/17/84/448011784.db2.gz MIQLMOIMNKCRIJ-KRWDZBQOSA-N 2 2 341.415 1.962 20 30 EDEDLP C#CC[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000491394460 448011790 /nfs/dbraw/zinc/01/17/90/448011790.db2.gz MIQLMOIMNKCRIJ-KRWDZBQOSA-N 2 2 341.415 1.962 20 30 EDEDLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)C2 ZINC000526996165 448133656 /nfs/dbraw/zinc/13/36/56/448133656.db2.gz CIOZHJJXTGPDJI-ZDUSSCGKSA-N 2 2 329.448 1.742 20 30 EDEDLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)CC2 ZINC000526996165 448133659 /nfs/dbraw/zinc/13/36/59/448133659.db2.gz CIOZHJJXTGPDJI-ZDUSSCGKSA-N 2 2 329.448 1.742 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000563012556 448280870 /nfs/dbraw/zinc/28/08/70/448280870.db2.gz UXYUWJHNRZZDBV-CABCVRRESA-N 2 2 326.400 1.363 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000563012556 448280878 /nfs/dbraw/zinc/28/08/78/448280878.db2.gz UXYUWJHNRZZDBV-CABCVRRESA-N 2 2 326.400 1.363 20 30 EDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000564854838 448341981 /nfs/dbraw/zinc/34/19/81/448341981.db2.gz PCWYVRIWGJPKST-QGZVFWFLSA-N 2 2 344.459 1.744 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)[C@@H]3CCCO3)CC2)cc1 ZINC000527758128 448355387 /nfs/dbraw/zinc/35/53/87/448355387.db2.gz UEJSPWBMRATTFC-OALUTQOASA-N 2 2 329.444 1.652 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577825349 448392888 /nfs/dbraw/zinc/39/28/88/448392888.db2.gz YGGSGUGCHXFNTQ-SJORKVTESA-N 2 2 344.459 1.444 20 30 EDEDLP C=CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000566491012 448491763 /nfs/dbraw/zinc/49/17/63/448491763.db2.gz MHALFRJJDQOERM-LSDHHAIUSA-N 2 2 331.416 1.004 20 30 EDEDLP C=CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000566491012 448491767 /nfs/dbraw/zinc/49/17/67/448491767.db2.gz MHALFRJJDQOERM-LSDHHAIUSA-N 2 2 331.416 1.004 20 30 EDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528379900 448506114 /nfs/dbraw/zinc/50/61/14/448506114.db2.gz DKTZQSGDJKDHTC-SFHVURJKSA-N 2 2 347.459 1.077 20 30 EDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528379900 448506117 /nfs/dbraw/zinc/50/61/17/448506117.db2.gz DKTZQSGDJKDHTC-SFHVURJKSA-N 2 2 347.459 1.077 20 30 EDEDLP CN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593428773 449278967 /nfs/dbraw/zinc/27/89/67/449278967.db2.gz MQHYDXCDOMXWHV-QGZVFWFLSA-N 2 2 347.507 1.880 20 30 EDEDLP CN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593428773 449278975 /nfs/dbraw/zinc/27/89/75/449278975.db2.gz MQHYDXCDOMXWHV-QGZVFWFLSA-N 2 2 347.507 1.880 20 30 EDEDLP C[NH+]1CCC(C#N)(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602099156 449343876 /nfs/dbraw/zinc/34/38/76/449343876.db2.gz WCAUBLVPYWKZCQ-NSHDSACASA-N 2 2 329.326 1.481 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600757279 449535988 /nfs/dbraw/zinc/53/59/88/449535988.db2.gz RVJIJNYCGLGCBG-ROUUACIJSA-N 2 2 329.444 1.904 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000600757279 449535992 /nfs/dbraw/zinc/53/59/92/449535992.db2.gz RVJIJNYCGLGCBG-ROUUACIJSA-N 2 2 329.444 1.904 20 30 EDEDLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000602863818 449873244 /nfs/dbraw/zinc/87/32/44/449873244.db2.gz PYOIRYDVABGPDO-CQSZACIVSA-N 2 2 344.463 1.449 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(C#N)c3)C2)CC1 ZINC000610521724 450252191 /nfs/dbraw/zinc/25/21/91/450252191.db2.gz LJKPYEPKJDQZAD-KRWDZBQOSA-N 2 2 326.444 1.385 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cccc(C#N)c3)C2)CC1 ZINC000610521724 450252195 /nfs/dbraw/zinc/25/21/95/450252195.db2.gz LJKPYEPKJDQZAD-KRWDZBQOSA-N 2 2 326.444 1.385 20 30 EDEDLP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900404 453593929 /nfs/dbraw/zinc/59/39/29/453593929.db2.gz LLXWXNXOJJJLAB-MJGOQNOKSA-N 3 2 334.508 1.312 20 30 EDEDLP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662900404 453593933 /nfs/dbraw/zinc/59/39/33/453593933.db2.gz LLXWXNXOJJJLAB-MJGOQNOKSA-N 3 2 334.508 1.312 20 30 EDEDLP CCCCNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264075495 535262368 /nfs/dbraw/zinc/26/23/68/535262368.db2.gz FLPUHGSGDBWKBY-UHFFFAOYSA-N 2 2 334.464 1.602 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000730842052 578660733 /nfs/dbraw/zinc/66/07/33/578660733.db2.gz BLPPOMDIJUMSQY-SFHVURJKSA-N 2 2 347.503 1.624 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000730842052 578660735 /nfs/dbraw/zinc/66/07/35/578660735.db2.gz BLPPOMDIJUMSQY-SFHVURJKSA-N 2 2 347.503 1.624 20 30 EDEDLP CC(=NNc1cc[nH+]cc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000779809755 580498078 /nfs/dbraw/zinc/49/80/78/580498078.db2.gz PMIBDBRNKPPWPY-UHFFFAOYSA-N 2 2 326.400 1.877 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781172478 580543702 /nfs/dbraw/zinc/54/37/02/580543702.db2.gz ITGHMVMPYFSDSZ-KRWDZBQOSA-N 2 2 326.444 1.704 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781172478 580543703 /nfs/dbraw/zinc/54/37/03/580543703.db2.gz ITGHMVMPYFSDSZ-KRWDZBQOSA-N 2 2 326.444 1.704 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)NCc2c(C)[nH+]c3ccccn32)CC1 ZINC000898959773 591617232 /nfs/dbraw/zinc/61/72/32/591617232.db2.gz RMBDYBJDYFTJDV-UHFFFAOYSA-N 2 2 325.416 1.540 20 30 EDEDLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCN1O ZINC000895163049 591628543 /nfs/dbraw/zinc/62/85/43/591628543.db2.gz QBXLWZPTXFGBHE-KRWDZBQOSA-N 2 2 335.423 1.802 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000900366421 591997921 /nfs/dbraw/zinc/99/79/21/591997921.db2.gz YMNFPGMVPZKEGT-UHFFFAOYSA-N 2 2 330.476 1.880 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000900548279 592045470 /nfs/dbraw/zinc/04/54/70/592045470.db2.gz QOHPPTKNJOVOEV-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP CN1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000903215437 592140747 /nfs/dbraw/zinc/14/07/47/592140747.db2.gz IYCONTIPQSBYNG-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c(OC)c1 ZINC000903860366 592348709 /nfs/dbraw/zinc/34/87/09/592348709.db2.gz RDSFDFXCOHMMAR-MBOZVWFJSA-N 2 2 346.471 1.977 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c(OC)c1 ZINC000903860366 592348714 /nfs/dbraw/zinc/34/87/14/592348714.db2.gz RDSFDFXCOHMMAR-MBOZVWFJSA-N 2 2 346.471 1.977 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c(OC)c1 ZINC000903871803 592354184 /nfs/dbraw/zinc/35/41/84/592354184.db2.gz VUMFMSVHDOLOLM-PXNSSMCTSA-N 2 2 346.471 1.991 20 30 EDEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]23CC[NH2+]C3)c(OC)c1 ZINC000903871803 592354185 /nfs/dbraw/zinc/35/41/85/592354185.db2.gz VUMFMSVHDOLOLM-PXNSSMCTSA-N 2 2 346.471 1.991 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000730276855 593108517 /nfs/dbraw/zinc/10/85/17/593108517.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000730276855 593108518 /nfs/dbraw/zinc/10/85/18/593108518.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000730276855 593108519 /nfs/dbraw/zinc/10/85/19/593108519.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000730276855 593108520 /nfs/dbraw/zinc/10/85/20/593108520.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 2 325.456 1.647 20 30 EDEDLP C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798874 594266870 /nfs/dbraw/zinc/26/68/70/594266870.db2.gz GVPZLFVJMABCJX-ROUUACIJSA-N 2 2 340.471 1.854 20 30 EDEDLP C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000829798874 594266871 /nfs/dbraw/zinc/26/68/71/594266871.db2.gz GVPZLFVJMABCJX-ROUUACIJSA-N 2 2 340.471 1.854 20 30 EDEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000826791807 594576768 /nfs/dbraw/zinc/57/67/68/594576768.db2.gz YQYMWVMAPQJMGQ-SFHVURJKSA-N 2 2 328.460 1.686 20 30 EDEDLP C#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000836320177 594950976 /nfs/dbraw/zinc/95/09/76/594950976.db2.gz XXNCPZADYDMLAH-SFHVURJKSA-N 2 2 340.471 1.636 20 30 EDEDLP C#Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000836320177 594950979 /nfs/dbraw/zinc/95/09/79/594950979.db2.gz XXNCPZADYDMLAH-SFHVURJKSA-N 2 2 340.471 1.636 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000834506136 595148830 /nfs/dbraw/zinc/14/88/30/595148830.db2.gz QANWKBXYFZMQIX-UXLLHSPISA-N 2 2 341.459 1.721 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000844425232 595341430 /nfs/dbraw/zinc/34/14/30/595341430.db2.gz OPBCDEKLVPDLPY-KRWDZBQOSA-N 2 2 325.456 1.426 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000844425232 595341433 /nfs/dbraw/zinc/34/14/33/595341433.db2.gz OPBCDEKLVPDLPY-KRWDZBQOSA-N 2 2 325.456 1.426 20 30 EDEDLP Cc1nc(C)c(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000853657259 595848198 /nfs/dbraw/zinc/84/81/98/595848198.db2.gz BQTMHSFFCNCNAF-UHFFFAOYSA-N 2 2 344.415 1.961 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000876711939 597299537 /nfs/dbraw/zinc/29/95/37/597299537.db2.gz JPPIKVWCKHEECI-INIZCTEOSA-N 2 2 337.851 1.605 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000939855694 699993784 /nfs/dbraw/zinc/99/37/84/699993784.db2.gz GKHLMYKKDDSROM-SUMWQHHRSA-N 2 2 341.390 1.531 20 30 EDEDLP C#CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000915500534 695935116 /nfs/dbraw/zinc/93/51/16/695935116.db2.gz NUDZEDYYJCJHQO-UHFFFAOYSA-N 2 2 332.492 1.790 20 30 EDEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015705491 696596777 /nfs/dbraw/zinc/59/67/77/696596777.db2.gz MIHLGGQJZGPPFM-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015705491 696596779 /nfs/dbraw/zinc/59/67/79/696596779.db2.gz MIHLGGQJZGPPFM-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015705491 696596780 /nfs/dbraw/zinc/59/67/80/696596780.db2.gz MIHLGGQJZGPPFM-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015705491 696596782 /nfs/dbraw/zinc/59/67/82/696596782.db2.gz MIHLGGQJZGPPFM-GOSISDBHSA-N 2 2 340.471 1.981 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@@H+]1C ZINC001031682438 697504099 /nfs/dbraw/zinc/50/40/99/697504099.db2.gz KSCZPJYSOGRIFG-CXAGYDPISA-N 2 2 344.434 1.586 20 30 EDEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001031682438 697504100 /nfs/dbraw/zinc/50/41/00/697504100.db2.gz KSCZPJYSOGRIFG-CXAGYDPISA-N 2 2 344.434 1.586 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767204 698838360 /nfs/dbraw/zinc/83/83/60/698838360.db2.gz RYNIAHZYSHFWDS-RHSMWYFYSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767204 698838366 /nfs/dbraw/zinc/83/83/66/698838366.db2.gz RYNIAHZYSHFWDS-RHSMWYFYSA-N 2 2 337.427 1.851 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851379 700952353 /nfs/dbraw/zinc/95/23/53/700952353.db2.gz WNQYJMBXCMIBAI-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851379 700952355 /nfs/dbraw/zinc/95/23/55/700952355.db2.gz WNQYJMBXCMIBAI-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001031947836 701504013 /nfs/dbraw/zinc/50/40/13/701504013.db2.gz MHSWSFDEJQQPPD-UHFFFAOYSA-N 2 2 344.434 1.587 20 30 EDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001032181190 702096073 /nfs/dbraw/zinc/09/60/73/702096073.db2.gz BVINKPLQGAGBEO-QGZVFWFLSA-N 2 2 329.419 1.177 20 30 EDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001032181190 702096076 /nfs/dbraw/zinc/09/60/76/702096076.db2.gz BVINKPLQGAGBEO-QGZVFWFLSA-N 2 2 329.419 1.177 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997245625 703531493 /nfs/dbraw/zinc/53/14/93/703531493.db2.gz YKKQLOFYWKYMQJ-VQIMIIECSA-N 2 2 347.503 1.337 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997245625 703531495 /nfs/dbraw/zinc/53/14/95/703531495.db2.gz YKKQLOFYWKYMQJ-VQIMIIECSA-N 2 2 347.503 1.337 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032453687 703631096 /nfs/dbraw/zinc/63/10/96/703631096.db2.gz KCMVLRBFWBKLEK-JYJNAYRXSA-N 2 2 337.414 1.414 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1 ZINC001032453687 703631097 /nfs/dbraw/zinc/63/10/97/703631097.db2.gz KCMVLRBFWBKLEK-JYJNAYRXSA-N 2 2 337.414 1.414 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032453687 703631098 /nfs/dbraw/zinc/63/10/98/703631098.db2.gz KCMVLRBFWBKLEK-JYJNAYRXSA-N 2 2 337.414 1.414 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032453687 703631099 /nfs/dbraw/zinc/63/10/99/703631099.db2.gz KCMVLRBFWBKLEK-JYJNAYRXSA-N 2 2 337.414 1.414 20 30 EDEDLP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000948647383 705403617 /nfs/dbraw/zinc/40/36/17/705403617.db2.gz HKQAXMIYWCRQQY-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000948647383 705403618 /nfs/dbraw/zinc/40/36/18/705403618.db2.gz HKQAXMIYWCRQQY-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948647383 705403620 /nfs/dbraw/zinc/40/36/20/705403620.db2.gz HKQAXMIYWCRQQY-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948647383 705403622 /nfs/dbraw/zinc/40/36/22/705403622.db2.gz HKQAXMIYWCRQQY-RTBURBONSA-N 2 2 349.519 1.824 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998307180 705709148 /nfs/dbraw/zinc/70/91/48/705709148.db2.gz WJBPUFBHJJLZNH-KBPBESRZSA-N 2 2 344.381 1.908 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390809 706904140 /nfs/dbraw/zinc/90/41/40/706904140.db2.gz IETRBNIERASNOL-AEFFLSMTSA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390809 706904141 /nfs/dbraw/zinc/90/41/41/706904141.db2.gz IETRBNIERASNOL-AEFFLSMTSA-N 2 2 344.459 1.470 20 30 EDEDLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)s2)C1 ZINC001032730902 707730195 /nfs/dbraw/zinc/73/01/95/707730195.db2.gz SISXOCHOHOAESJ-ILXRZTDVSA-N 2 2 344.484 1.747 20 30 EDEDLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)s2)C1 ZINC001032730902 707730200 /nfs/dbraw/zinc/73/02/00/707730200.db2.gz SISXOCHOHOAESJ-ILXRZTDVSA-N 2 2 344.484 1.747 20 30 EDEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001032730902 707730205 /nfs/dbraw/zinc/73/02/05/707730205.db2.gz SISXOCHOHOAESJ-ILXRZTDVSA-N 2 2 344.484 1.747 20 30 EDEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001032730902 707730208 /nfs/dbraw/zinc/73/02/08/707730208.db2.gz SISXOCHOHOAESJ-ILXRZTDVSA-N 2 2 344.484 1.747 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638575 712106992 /nfs/dbraw/zinc/10/69/92/712106992.db2.gz RCTFZMSDEPGIDI-CALCHBBNSA-N 2 2 341.455 1.826 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638575 712106994 /nfs/dbraw/zinc/10/69/94/712106994.db2.gz RCTFZMSDEPGIDI-CALCHBBNSA-N 2 2 341.455 1.826 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033153263 712175878 /nfs/dbraw/zinc/17/58/78/712175878.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033153263 712175880 /nfs/dbraw/zinc/17/58/80/712175880.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033153263 712175883 /nfs/dbraw/zinc/17/58/83/712175883.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033153263 712175884 /nfs/dbraw/zinc/17/58/84/712175884.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000329359834 539431803 /nfs/dbraw/zinc/43/18/03/539431803.db2.gz HXNGWKHZZMHJQC-HNNXBMFYSA-N 2 2 347.463 1.011 20 30 EDEDLP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181507339 234211009 /nfs/dbraw/zinc/21/10/09/234211009.db2.gz HFXNAOBBHPBVOM-KRWDZBQOSA-N 2 2 342.487 1.833 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000183962749 235272365 /nfs/dbraw/zinc/27/23/65/235272365.db2.gz BMHUZDMXHDCXOW-CRAIPNDOSA-N 2 2 326.444 1.858 20 30 EDEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000183962749 235272367 /nfs/dbraw/zinc/27/23/67/235272367.db2.gz BMHUZDMXHDCXOW-CRAIPNDOSA-N 2 2 326.444 1.858 20 30 EDEDLP [NH2+]=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CCCCC1 ZINC000104178570 237057215 /nfs/dbraw/zinc/05/72/15/237057215.db2.gz AFCBMNRGQRIFAO-MRXNPFEDSA-N 2 2 326.510 1.431 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545414 249310736 /nfs/dbraw/zinc/31/07/36/249310736.db2.gz KBLAHFZSTGRQPI-DZKIICNBSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545414 249310739 /nfs/dbraw/zinc/31/07/39/249310739.db2.gz KBLAHFZSTGRQPI-DZKIICNBSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545414 249310741 /nfs/dbraw/zinc/31/07/41/249310741.db2.gz KBLAHFZSTGRQPI-DZKIICNBSA-N 2 2 334.464 1.335 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545414 249310745 /nfs/dbraw/zinc/31/07/45/249310745.db2.gz KBLAHFZSTGRQPI-DZKIICNBSA-N 2 2 334.464 1.335 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000490760479 255105205 /nfs/dbraw/zinc/10/52/05/255105205.db2.gz MGZZOBYODGCOLH-UHFFFAOYSA-N 2 2 347.503 1.435 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000490778993 255107206 /nfs/dbraw/zinc/10/72/06/255107206.db2.gz QIXDRXKLCVVMEW-UHFFFAOYSA-N 2 2 341.455 1.382 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000490778993 255107207 /nfs/dbraw/zinc/10/72/07/255107207.db2.gz QIXDRXKLCVVMEW-UHFFFAOYSA-N 2 2 341.455 1.382 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000490925701 255109489 /nfs/dbraw/zinc/10/94/89/255109489.db2.gz XPXWANYJSGEVDB-SFHVURJKSA-N 2 2 329.444 1.513 20 30 EDEDLP N#Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1F ZINC000367883159 154312131 /nfs/dbraw/zinc/31/21/31/154312131.db2.gz AVHACWOXWBPSFH-UHFFFAOYSA-N 2 2 333.407 1.356 20 30 EDEDLP Cc1c[nH+]ccc1CC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516453628 270015222 /nfs/dbraw/zinc/01/52/22/270015222.db2.gz HGTPODHUPCFBGC-UHFFFAOYSA-N 2 2 330.413 1.263 20 30 EDEDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528432549 267334578 /nfs/dbraw/zinc/33/45/78/267334578.db2.gz PVBXOEIUUNLHLZ-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528432549 267334579 /nfs/dbraw/zinc/33/45/79/267334579.db2.gz PVBXOEIUUNLHLZ-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378428621 447426331 /nfs/dbraw/zinc/42/63/31/447426331.db2.gz JRYXBSOYNBOTOF-SFHVURJKSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378428621 447426336 /nfs/dbraw/zinc/42/63/36/447426336.db2.gz JRYXBSOYNBOTOF-SFHVURJKSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378428621 447426343 /nfs/dbraw/zinc/42/63/43/447426343.db2.gz JRYXBSOYNBOTOF-SFHVURJKSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378428621 447426348 /nfs/dbraw/zinc/42/63/48/447426348.db2.gz JRYXBSOYNBOTOF-SFHVURJKSA-N 2 2 334.508 1.287 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450240740 447436693 /nfs/dbraw/zinc/43/66/93/447436693.db2.gz FHADHBKEQAVKDG-SJPCQFCGSA-N 2 2 341.459 1.578 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450240740 447436698 /nfs/dbraw/zinc/43/66/98/447436698.db2.gz FHADHBKEQAVKDG-SJPCQFCGSA-N 2 2 341.459 1.578 20 30 EDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261721643 443166317 /nfs/dbraw/zinc/16/63/17/443166317.db2.gz IMYPUKJKFSFYPM-UHFFFAOYSA-N 2 2 333.461 1.802 20 30 EDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N(C)Cc1ccon1 ZINC000261721643 443166321 /nfs/dbraw/zinc/16/63/21/443166321.db2.gz IMYPUKJKFSFYPM-UHFFFAOYSA-N 2 2 333.461 1.802 20 30 EDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000261629120 443161115 /nfs/dbraw/zinc/16/11/15/443161115.db2.gz CGACNFZPZIUWJR-GOSISDBHSA-N 3 2 327.476 1.844 20 30 EDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1c(F)cccc1Cl ZINC000262585671 443201655 /nfs/dbraw/zinc/20/16/55/443201655.db2.gz SKJDTNQCVUUTNH-GFCCVEGCSA-N 2 2 342.846 1.817 20 30 EDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1c(F)cccc1Cl ZINC000262585671 443201659 /nfs/dbraw/zinc/20/16/59/443201659.db2.gz SKJDTNQCVUUTNH-GFCCVEGCSA-N 2 2 342.846 1.817 20 30 EDEDLP C[C@H]1C[N@H+](CCN2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000191382289 443287543 /nfs/dbraw/zinc/28/75/43/443287543.db2.gz HEGHEXDLFMUPKC-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1C[N@@H+](CCN2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000191382289 443287547 /nfs/dbraw/zinc/28/75/47/443287547.db2.gz HEGHEXDLFMUPKC-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1C[NH+](CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000191382289 443287553 /nfs/dbraw/zinc/28/75/53/443287553.db2.gz HEGHEXDLFMUPKC-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@H]1C[NH+](CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000191382289 443287556 /nfs/dbraw/zinc/28/75/56/443287556.db2.gz HEGHEXDLFMUPKC-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000562989076 321085258 /nfs/dbraw/zinc/08/52/58/321085258.db2.gz DUHQCAWFQFADRE-JKSUJKDBSA-N 2 2 335.473 1.794 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000567582041 321246723 /nfs/dbraw/zinc/24/67/23/321246723.db2.gz ZUEFHUJCUHIBEC-UHFFFAOYSA-N 2 2 333.457 1.548 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000569204719 321321704 /nfs/dbraw/zinc/32/17/04/321321704.db2.gz OAJVPWNRASAJSU-KRWDZBQOSA-N 2 2 341.459 1.385 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ncnn2C(C)(C)C)cc1 ZINC000282339543 444151085 /nfs/dbraw/zinc/15/10/85/444151085.db2.gz VXAZKDZPMZVNFF-UHFFFAOYSA-N 2 2 330.436 1.932 20 30 EDEDLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329393322 444560901 /nfs/dbraw/zinc/56/09/01/444560901.db2.gz SNFRHQGQQWGFNX-HUUCEWRRSA-N 2 2 335.452 1.144 20 30 EDEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333881793 444707230 /nfs/dbraw/zinc/70/72/30/444707230.db2.gz WHONLVNKXHMBEW-CRAIPNDOSA-N 2 2 341.459 1.526 20 30 EDEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330191916 444880357 /nfs/dbraw/zinc/88/03/57/444880357.db2.gz NJPXHDVICSYTTE-CABCVRRESA-N 2 2 328.420 1.781 20 30 EDEDLP C=CCN1CC[C@@H]([NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000337176093 444974526 /nfs/dbraw/zinc/97/45/26/444974526.db2.gz INPNLSSQUPDZRC-GOSISDBHSA-N 2 2 334.508 1.264 20 30 EDEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365920207 445906248 /nfs/dbraw/zinc/90/62/48/445906248.db2.gz JJTWCGOFDNDNAL-INIZCTEOSA-N 2 2 329.448 1.137 20 30 EDEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365920207 445906255 /nfs/dbraw/zinc/90/62/55/445906255.db2.gz JJTWCGOFDNDNAL-INIZCTEOSA-N 2 2 329.448 1.137 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364703711 445946637 /nfs/dbraw/zinc/94/66/37/445946637.db2.gz HDDNERPTLXIQQT-SZMVWBNQSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364703711 445946644 /nfs/dbraw/zinc/94/66/44/445946644.db2.gz HDDNERPTLXIQQT-SZMVWBNQSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364703711 445946650 /nfs/dbraw/zinc/94/66/50/445946650.db2.gz HDDNERPTLXIQQT-SZMVWBNQSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364703711 445946653 /nfs/dbraw/zinc/94/66/53/445946653.db2.gz HDDNERPTLXIQQT-SZMVWBNQSA-N 2 2 343.475 1.767 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000365648522 446286422 /nfs/dbraw/zinc/28/64/22/446286422.db2.gz JTMGSTBXQFRZFH-QGZVFWFLSA-N 2 2 337.427 1.788 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000365648522 446286427 /nfs/dbraw/zinc/28/64/27/446286427.db2.gz JTMGSTBXQFRZFH-QGZVFWFLSA-N 2 2 337.427 1.788 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420319216 446486283 /nfs/dbraw/zinc/48/62/83/446486283.db2.gz XNFAHWJHICXLQZ-QZTJIDSGSA-N 2 2 328.460 1.813 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420319216 446486291 /nfs/dbraw/zinc/48/62/91/446486291.db2.gz XNFAHWJHICXLQZ-QZTJIDSGSA-N 2 2 328.460 1.813 20 30 EDEDLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000376627891 446614466 /nfs/dbraw/zinc/61/44/66/446614466.db2.gz PZGMWKSPPOFNRF-UHFFFAOYSA-N 2 2 347.507 1.041 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c(F)c1 ZINC000375391349 446766691 /nfs/dbraw/zinc/76/66/91/446766691.db2.gz IVLAIPUDUKFIEI-UHFFFAOYSA-N 2 2 346.450 1.537 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c(F)c1 ZINC000375391349 446766697 /nfs/dbraw/zinc/76/66/97/446766697.db2.gz IVLAIPUDUKFIEI-UHFFFAOYSA-N 2 2 346.450 1.537 20 30 EDEDLP C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461284 446870874 /nfs/dbraw/zinc/87/08/74/446870874.db2.gz WUSBPLLXZNKVFT-MRXNPFEDSA-N 2 2 340.471 1.993 20 30 EDEDLP C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461284 446870880 /nfs/dbraw/zinc/87/08/80/446870880.db2.gz WUSBPLLXZNKVFT-MRXNPFEDSA-N 2 2 340.471 1.993 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420958468 446929315 /nfs/dbraw/zinc/92/93/15/446929315.db2.gz DVESEQJUXAGLHN-IBGZPJMESA-N 2 2 343.471 1.738 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420958468 446929319 /nfs/dbraw/zinc/92/93/19/446929319.db2.gz DVESEQJUXAGLHN-IBGZPJMESA-N 2 2 343.471 1.738 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000371557426 446930791 /nfs/dbraw/zinc/93/07/91/446930791.db2.gz VQPHFUZDQYCCEO-UHFFFAOYSA-N 2 2 345.491 1.480 20 30 EDEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CC1 ZINC000535577057 448496112 /nfs/dbraw/zinc/49/61/12/448496112.db2.gz ZAMSFOJGVYNLTO-SFHVURJKSA-N 2 2 327.432 1.766 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000574033063 448773781 /nfs/dbraw/zinc/77/37/81/448773781.db2.gz FLDISDZDEHIAIT-IBGZPJMESA-N 2 2 330.476 1.943 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000574033063 448773782 /nfs/dbraw/zinc/77/37/82/448773782.db2.gz FLDISDZDEHIAIT-IBGZPJMESA-N 2 2 330.476 1.943 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CC#N)C2)C1 ZINC000595609094 449076501 /nfs/dbraw/zinc/07/65/01/449076501.db2.gz GDIOOHFYYCDJEI-IAGOWNOFSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CC#N)C2)C1 ZINC000595609094 449076504 /nfs/dbraw/zinc/07/65/04/449076504.db2.gz GDIOOHFYYCDJEI-IAGOWNOFSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595609094 449076508 /nfs/dbraw/zinc/07/65/08/449076508.db2.gz GDIOOHFYYCDJEI-IAGOWNOFSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595609094 449076512 /nfs/dbraw/zinc/07/65/12/449076512.db2.gz GDIOOHFYYCDJEI-IAGOWNOFSA-N 2 2 336.480 1.085 20 30 EDEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768879 449156950 /nfs/dbraw/zinc/15/69/50/449156950.db2.gz LHJKFEPMSTWXAZ-SFHVURJKSA-N 2 2 347.459 1.093 20 30 EDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768879 449156951 /nfs/dbraw/zinc/15/69/51/449156951.db2.gz LHJKFEPMSTWXAZ-SFHVURJKSA-N 2 2 347.459 1.093 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000597989345 449173424 /nfs/dbraw/zinc/17/34/24/449173424.db2.gz FBWAKGWGDLXQAQ-UHFFFAOYSA-N 2 2 328.460 1.590 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000597989345 449173429 /nfs/dbraw/zinc/17/34/29/449173429.db2.gz FBWAKGWGDLXQAQ-UHFFFAOYSA-N 2 2 328.460 1.590 20 30 EDEDLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324023 449226982 /nfs/dbraw/zinc/22/69/82/449226982.db2.gz VUOAZLWAQGPVHV-CWFSZBLJSA-N 3 2 342.487 1.865 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@@H+]1C ZINC000600742571 449528175 /nfs/dbraw/zinc/52/81/75/449528175.db2.gz XALKMSAJRQUZDG-ZMSDIMECSA-N 2 2 331.464 1.447 20 30 EDEDLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC[N@H+]1C ZINC000600742571 449528182 /nfs/dbraw/zinc/52/81/82/449528182.db2.gz XALKMSAJRQUZDG-ZMSDIMECSA-N 2 2 331.464 1.447 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC000595516933 450200916 /nfs/dbraw/zinc/20/09/16/450200916.db2.gz QPSYNUIBFULSMV-HOTGVXAUSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC#N)C3)C2)CC1 ZINC000595516933 450200919 /nfs/dbraw/zinc/20/09/19/450200919.db2.gz QPSYNUIBFULSMV-HOTGVXAUSA-N 2 2 333.480 1.490 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901780 526521687 /nfs/dbraw/zinc/52/16/87/526521687.db2.gz YTBYSCQZLNOODL-GOSISDBHSA-N 2 2 336.524 1.513 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901780 526521690 /nfs/dbraw/zinc/52/16/90/526521690.db2.gz YTBYSCQZLNOODL-GOSISDBHSA-N 2 2 336.524 1.513 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000106339630 526593990 /nfs/dbraw/zinc/59/39/90/526593990.db2.gz AJEBQXRQNHAKSO-CVEARBPZSA-N 2 2 338.496 1.435 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123577703 527927387 /nfs/dbraw/zinc/92/73/87/527927387.db2.gz GUIQXZCLPQRZNI-QAPCUYQASA-N 2 2 331.464 1.729 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123577703 527927391 /nfs/dbraw/zinc/92/73/91/527927391.db2.gz GUIQXZCLPQRZNI-QAPCUYQASA-N 2 2 331.464 1.729 20 30 EDEDLP Cc1noc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000742357250 579449691 /nfs/dbraw/zinc/44/96/91/579449691.db2.gz SJENECPDBOPBBK-UHFFFAOYSA-N 2 2 331.376 1.047 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000746503980 579598893 /nfs/dbraw/zinc/59/88/93/579598893.db2.gz SGEICOHLNXSJJT-FQEVSTJZSA-N 2 2 337.467 1.916 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000746503980 579598894 /nfs/dbraw/zinc/59/88/94/579598894.db2.gz SGEICOHLNXSJJT-FQEVSTJZSA-N 2 2 337.467 1.916 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2CC)CC1 ZINC000748818879 579702026 /nfs/dbraw/zinc/70/20/26/579702026.db2.gz ZXASGQOQMVAZKU-LJQANCHMSA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2CC)CC1 ZINC000748818879 579702027 /nfs/dbraw/zinc/70/20/27/579702027.db2.gz ZXASGQOQMVAZKU-LJQANCHMSA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000748823269 579702357 /nfs/dbraw/zinc/70/23/57/579702357.db2.gz PRCXOHGVGKKRAB-QFBILLFUSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000748823269 579702358 /nfs/dbraw/zinc/70/23/58/579702358.db2.gz PRCXOHGVGKKRAB-QFBILLFUSA-N 2 2 343.446 1.986 20 30 EDEDLP C#C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000773272902 580332336 /nfs/dbraw/zinc/33/23/36/580332336.db2.gz KJRUCBKCRWHKJY-ROUUACIJSA-N 2 2 348.491 1.025 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000780398344 580521431 /nfs/dbraw/zinc/52/14/31/580521431.db2.gz OGWMYCVSPRJDAE-JPMGXVIASA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000780398344 580521432 /nfs/dbraw/zinc/52/14/32/580521432.db2.gz OGWMYCVSPRJDAE-JPMGXVIASA-N 2 2 337.467 1.942 20 30 EDEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCN(O)C3=O)CC2)cc1 ZINC000895160897 591627007 /nfs/dbraw/zinc/62/70/07/591627007.db2.gz CJKXUKPPKJTSNE-QGZVFWFLSA-N 2 2 332.448 1.691 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896989284 591706575 /nfs/dbraw/zinc/70/65/75/591706575.db2.gz QICAWAVHADSCKV-LJQANCHMSA-N 2 2 325.456 1.908 20 30 EDEDLP C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000896989284 591706578 /nfs/dbraw/zinc/70/65/78/591706578.db2.gz QICAWAVHADSCKV-LJQANCHMSA-N 2 2 325.456 1.908 20 30 EDEDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000903087272 592117809 /nfs/dbraw/zinc/11/78/09/592117809.db2.gz FDBLAQODTSKZHT-FUHWJXTLSA-N 2 2 343.475 1.400 20 30 EDEDLP COC(=O)C1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901500291 592376796 /nfs/dbraw/zinc/37/67/96/592376796.db2.gz QEPGLZOAPJXQCM-PWHKKFIBSA-N 2 2 340.383 1.773 20 30 EDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000826052615 594318696 /nfs/dbraw/zinc/31/86/96/594318696.db2.gz OYDAXJIMFUYFMV-IEBWSBKVSA-N 2 2 340.471 1.829 20 30 EDEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000826052615 594318699 /nfs/dbraw/zinc/31/86/99/594318699.db2.gz OYDAXJIMFUYFMV-IEBWSBKVSA-N 2 2 340.471 1.829 20 30 EDEDLP CN1CC[NH+](Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852872920 595591750 /nfs/dbraw/zinc/59/17/50/595591750.db2.gz NDTJUKBJFXAHBR-UHFFFAOYSA-N 2 2 340.471 1.376 20 30 EDEDLP C#CCSCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865470828 596584674 /nfs/dbraw/zinc/58/46/74/596584674.db2.gz MZUQJTZHXBETFN-UHFFFAOYSA-N 2 2 334.485 1.854 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871541638 596620895 /nfs/dbraw/zinc/62/08/95/596620895.db2.gz DQJUSWVHJMGAFG-INIZCTEOSA-N 2 2 349.475 1.006 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871541638 596620897 /nfs/dbraw/zinc/62/08/97/596620897.db2.gz DQJUSWVHJMGAFG-INIZCTEOSA-N 2 2 349.475 1.006 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876730432 597310824 /nfs/dbraw/zinc/31/08/24/597310824.db2.gz GITYVABEYWPBIV-WBVHZDCISA-N 2 2 335.411 1.874 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993625108 696289625 /nfs/dbraw/zinc/28/96/25/696289625.db2.gz SFFRDKAEVLGTTI-HOTGVXAUSA-N 2 2 328.460 1.754 20 30 EDEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993625108 696289626 /nfs/dbraw/zinc/28/96/26/696289626.db2.gz SFFRDKAEVLGTTI-HOTGVXAUSA-N 2 2 328.460 1.754 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031579886 697275489 /nfs/dbraw/zinc/27/54/89/697275489.db2.gz NRSHGEKYGJUXEH-KRWDZBQOSA-N 2 2 342.443 1.209 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031579886 697275491 /nfs/dbraw/zinc/27/54/91/697275491.db2.gz NRSHGEKYGJUXEH-KRWDZBQOSA-N 2 2 342.443 1.209 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174449 697866377 /nfs/dbraw/zinc/86/63/77/697866377.db2.gz DCIHVSWEFDBFMF-KBXCAEBGSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174449 697866378 /nfs/dbraw/zinc/86/63/78/697866378.db2.gz DCIHVSWEFDBFMF-KBXCAEBGSA-N 2 2 337.427 1.851 20 30 EDEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)CC2)C1 ZINC000941636418 701602046 /nfs/dbraw/zinc/60/20/46/701602046.db2.gz LEXCXDXBHRPARM-LJQANCHMSA-N 2 2 346.519 1.103 20 30 EDEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)CC2)C1 ZINC000941636418 701602047 /nfs/dbraw/zinc/60/20/47/701602047.db2.gz LEXCXDXBHRPARM-LJQANCHMSA-N 2 2 346.519 1.103 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000996754694 703043605 /nfs/dbraw/zinc/04/36/05/703043605.db2.gz BVVNBTXCWUCPPG-UHFFFAOYSA-N 2 2 326.828 1.683 20 30 EDEDLP N#Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000997121855 703380290 /nfs/dbraw/zinc/38/02/90/703380290.db2.gz BPWKHRPDUGDVTL-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000997210417 703510041 /nfs/dbraw/zinc/51/00/41/703510041.db2.gz JPDXMQSIIWYNLG-UHFFFAOYSA-N 2 2 337.427 1.913 20 30 EDEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032625114 705720705 /nfs/dbraw/zinc/72/07/05/705720705.db2.gz BVQCZUBPDCJGMQ-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C#N)c1 ZINC001032625114 705720709 /nfs/dbraw/zinc/72/07/09/705720709.db2.gz BVQCZUBPDCJGMQ-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032625114 705720715 /nfs/dbraw/zinc/72/07/15/705720715.db2.gz BVQCZUBPDCJGMQ-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032625114 705720719 /nfs/dbraw/zinc/72/07/19/705720719.db2.gz BVQCZUBPDCJGMQ-MNEFBYGVSA-N 2 2 338.455 1.828 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000999393749 706888458 /nfs/dbraw/zinc/88/84/58/706888458.db2.gz YDCJHNBNRGDLJE-CVEARBPZSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000999393749 706888460 /nfs/dbraw/zinc/88/84/60/706888460.db2.gz YDCJHNBNRGDLJE-CVEARBPZSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001685157 708182533 /nfs/dbraw/zinc/18/25/33/708182533.db2.gz SEMREMNDYDCHPU-IBGZPJMESA-N 2 2 347.503 1.339 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001685157 708182534 /nfs/dbraw/zinc/18/25/34/708182534.db2.gz SEMREMNDYDCHPU-IBGZPJMESA-N 2 2 347.503 1.339 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001032827143 709291562 /nfs/dbraw/zinc/29/15/62/709291562.db2.gz JICQYNCVNAUUTM-IHPCNDPISA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001032827143 709291563 /nfs/dbraw/zinc/29/15/63/709291563.db2.gz JICQYNCVNAUUTM-IHPCNDPISA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032827143 709291564 /nfs/dbraw/zinc/29/15/64/709291564.db2.gz JICQYNCVNAUUTM-IHPCNDPISA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032827143 709291565 /nfs/dbraw/zinc/29/15/65/709291565.db2.gz JICQYNCVNAUUTM-IHPCNDPISA-N 2 2 337.467 1.962 20 30 EDEDLP C#CCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217996 709573917 /nfs/dbraw/zinc/57/39/17/709573917.db2.gz WWJKTPKLZZWYBN-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217996 709573918 /nfs/dbraw/zinc/57/39/18/709573918.db2.gz WWJKTPKLZZWYBN-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217996 709573920 /nfs/dbraw/zinc/57/39/20/709573920.db2.gz WWJKTPKLZZWYBN-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217996 709573922 /nfs/dbraw/zinc/57/39/22/709573922.db2.gz WWJKTPKLZZWYBN-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001034649825 710326338 /nfs/dbraw/zinc/32/63/38/710326338.db2.gz WEVSXLRNSXAMFC-ZQIUZPCESA-N 2 2 329.448 1.440 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001034649825 710326341 /nfs/dbraw/zinc/32/63/41/710326341.db2.gz WEVSXLRNSXAMFC-ZQIUZPCESA-N 2 2 329.448 1.440 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003966935 711136972 /nfs/dbraw/zinc/13/69/72/711136972.db2.gz GHJZWJVZEAGIOD-CYBMUJFWSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003966935 711136974 /nfs/dbraw/zinc/13/69/74/711136974.db2.gz GHJZWJVZEAGIOD-CYBMUJFWSA-N 2 2 344.297 1.817 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004617916 712077966 /nfs/dbraw/zinc/07/79/66/712077966.db2.gz UJBNBOBXEYPTLV-AEFFLSMTSA-N 2 2 348.491 1.181 20 30 EDEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004617916 712077968 /nfs/dbraw/zinc/07/79/68/712077968.db2.gz UJBNBOBXEYPTLV-AEFFLSMTSA-N 2 2 348.491 1.181 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000328962269 539379810 /nfs/dbraw/zinc/37/98/10/539379810.db2.gz QWAMXBFXRGFMFC-HOTGVXAUSA-N 2 2 347.463 1.009 20 30 EDEDLP CO[C@H]1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[N@@H+](C)C1 ZINC000328962269 539379813 /nfs/dbraw/zinc/37/98/13/539379813.db2.gz QWAMXBFXRGFMFC-HOTGVXAUSA-N 2 2 347.463 1.009 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338676836 249985393 /nfs/dbraw/zinc/98/53/93/249985393.db2.gz RJPQBPAOSXNSCM-UHFFFAOYSA-N 2 2 346.450 1.502 20 30 EDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]2)C[C@@H](C)O1 ZINC000424133317 252135925 /nfs/dbraw/zinc/13/59/25/252135925.db2.gz LYLIBLOAMIKBPN-IIAWOOMASA-N 2 2 345.447 1.333 20 30 EDEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000491728645 255145757 /nfs/dbraw/zinc/14/57/57/255145757.db2.gz BEUCBVKDHFVGIV-GOSISDBHSA-N 2 2 346.450 1.825 20 30 EDEDLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000354867476 150002527 /nfs/dbraw/zinc/00/25/27/150002527.db2.gz YFZREVDKIMOJDY-IAGOWNOFSA-N 2 2 327.407 1.994 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378587883 158214683 /nfs/dbraw/zinc/21/46/83/158214683.db2.gz KRTAJEFNRCDKCA-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP COc1ccc(C#N)cc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378587883 158214684 /nfs/dbraw/zinc/21/46/84/158214684.db2.gz KRTAJEFNRCDKCA-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156407530 268177660 /nfs/dbraw/zinc/17/76/60/268177660.db2.gz SWDHFSNFJHAISR-LPHOPBHVSA-N 2 2 339.395 1.846 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156407530 268177664 /nfs/dbraw/zinc/17/76/64/268177664.db2.gz SWDHFSNFJHAISR-LPHOPBHVSA-N 2 2 339.395 1.846 20 30 EDEDLP CCOC(=O)C1CCN(C(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)CC1 ZINC000073111870 441294814 /nfs/dbraw/zinc/29/48/14/441294814.db2.gz KJTVLGPPTZXLGY-UHFFFAOYSA-N 2 2 347.463 1.570 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876652 441304162 /nfs/dbraw/zinc/30/41/62/441304162.db2.gz WKYGDDUSZVCGTE-HNNXBMFYSA-N 2 2 331.464 1.683 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857481 442057591 /nfs/dbraw/zinc/05/75/91/442057591.db2.gz KNJAMEFOAVGWNH-QZTJIDSGSA-N 2 2 337.508 1.844 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857481 442057596 /nfs/dbraw/zinc/05/75/96/442057596.db2.gz KNJAMEFOAVGWNH-QZTJIDSGSA-N 2 2 337.508 1.844 20 30 EDEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912882 442287670 /nfs/dbraw/zinc/28/76/70/442287670.db2.gz UYECAFLIHAIKFQ-UHFFFAOYSA-N 2 2 336.436 1.541 20 30 EDEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000170912882 442287673 /nfs/dbraw/zinc/28/76/73/442287673.db2.gz UYECAFLIHAIKFQ-UHFFFAOYSA-N 2 2 336.436 1.541 20 30 EDEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177291122 442325407 /nfs/dbraw/zinc/32/54/07/442325407.db2.gz PBJQLHYOFDZDCS-UHFFFAOYSA-N 2 2 332.423 1.587 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249572857 442989112 /nfs/dbraw/zinc/98/91/12/442989112.db2.gz OSKYEKRONBLJAH-APWZRJJASA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249572857 442989113 /nfs/dbraw/zinc/98/91/13/442989113.db2.gz OSKYEKRONBLJAH-APWZRJJASA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249572857 442989115 /nfs/dbraw/zinc/98/91/15/442989115.db2.gz OSKYEKRONBLJAH-APWZRJJASA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249572857 442989118 /nfs/dbraw/zinc/98/91/18/442989118.db2.gz OSKYEKRONBLJAH-APWZRJJASA-N 2 2 331.460 1.246 20 30 EDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@H]1CCc2nc(C)nn2C1 ZINC000261773043 443169195 /nfs/dbraw/zinc/16/91/95/443169195.db2.gz PJRBUQDVCMWDAA-INIZCTEOSA-N 2 2 341.463 1.403 20 30 EDEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000564442246 321131742 /nfs/dbraw/zinc/13/17/42/321131742.db2.gz CQLFELHLRFRMLP-CWLMSFPYSA-N 2 2 343.471 1.995 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000570037837 321335201 /nfs/dbraw/zinc/33/52/01/321335201.db2.gz ZNYOXTGHJLIYBU-KRWDZBQOSA-N 2 2 336.395 1.778 20 30 EDEDLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000328873387 444383329 /nfs/dbraw/zinc/38/33/29/444383329.db2.gz RARDZURYDNESKE-MRXNPFEDSA-N 2 2 347.463 1.406 20 30 EDEDLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000328873387 444383332 /nfs/dbraw/zinc/38/33/32/444383332.db2.gz RARDZURYDNESKE-MRXNPFEDSA-N 2 2 347.463 1.406 20 30 EDEDLP CCN1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329926880 444772557 /nfs/dbraw/zinc/77/25/57/444772557.db2.gz LCFBNMMDSCVLLY-INIZCTEOSA-N 2 2 348.495 1.875 20 30 EDEDLP CCN1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329944461 444780387 /nfs/dbraw/zinc/78/03/87/444780387.db2.gz FFGHRGKUFBDVGO-GJZGRUSLSA-N 2 2 334.468 1.487 20 30 EDEDLP CCN1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329944461 444780392 /nfs/dbraw/zinc/78/03/92/444780392.db2.gz FFGHRGKUFBDVGO-GJZGRUSLSA-N 2 2 334.468 1.487 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329977442 444796531 /nfs/dbraw/zinc/79/65/31/444796531.db2.gz ZQVWUBKZVUDBHB-ZFWWWQNUSA-N 2 2 334.468 1.485 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329977442 444796532 /nfs/dbraw/zinc/79/65/32/444796532.db2.gz ZQVWUBKZVUDBHB-ZFWWWQNUSA-N 2 2 334.468 1.485 20 30 EDEDLP CCN1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960517 444787623 /nfs/dbraw/zinc/78/76/23/444787623.db2.gz NYDHJQZHQHSDNI-INIZCTEOSA-N 2 2 348.495 1.877 20 30 EDEDLP CCN1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960517 444787627 /nfs/dbraw/zinc/78/76/27/444787627.db2.gz NYDHJQZHQHSDNI-INIZCTEOSA-N 2 2 348.495 1.877 20 30 EDEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000329966633 444791677 /nfs/dbraw/zinc/79/16/77/444791677.db2.gz RXUVCBBDEQMUCN-CVEARBPZSA-N 2 2 348.495 1.355 20 30 EDEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000329966633 444791682 /nfs/dbraw/zinc/79/16/82/444791682.db2.gz RXUVCBBDEQMUCN-CVEARBPZSA-N 2 2 348.495 1.355 20 30 EDEDLP [O-]C(NCC1([NH+]2CCCC2)CCOCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199121 444884708 /nfs/dbraw/zinc/88/47/08/444884708.db2.gz UXSBHTJQXJWOBG-OAHLLOKOSA-N 2 2 347.463 1.347 20 30 EDEDLP Cc1nn(C)c(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1C#N ZINC000349888932 445713418 /nfs/dbraw/zinc/71/34/18/445713418.db2.gz JJMFYPWYTIBAMX-UHFFFAOYSA-N 2 2 341.463 1.708 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365259997 446109058 /nfs/dbraw/zinc/10/90/58/446109058.db2.gz NRYRYYSAFDETCA-KRWDZBQOSA-N 2 2 341.459 1.526 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000365259997 446109063 /nfs/dbraw/zinc/10/90/63/446109063.db2.gz NRYRYYSAFDETCA-KRWDZBQOSA-N 2 2 341.459 1.526 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839544 446376693 /nfs/dbraw/zinc/37/66/93/446376693.db2.gz BIDBOOIZYRFRSI-GDBMZVCRSA-N 2 2 349.394 1.413 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839544 446376699 /nfs/dbraw/zinc/37/66/99/446376699.db2.gz BIDBOOIZYRFRSI-GDBMZVCRSA-N 2 2 349.394 1.413 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376328179 446431080 /nfs/dbraw/zinc/43/10/80/446431080.db2.gz QCJGERNJDVJGSC-RDJZCZTQSA-N 2 2 336.480 1.141 20 30 EDEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(=O)N1 ZINC000453447167 446558639 /nfs/dbraw/zinc/55/86/39/446558639.db2.gz ZEEOYHLQWNJTQC-IBGZPJMESA-N 2 2 326.444 1.781 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441091847 446863423 /nfs/dbraw/zinc/86/34/23/446863423.db2.gz FJXZAAULLJCROB-UHFFFAOYSA-N 2 2 348.535 1.677 20 30 EDEDLP C#CC[N@H+](C)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000491153544 447938737 /nfs/dbraw/zinc/93/87/37/447938737.db2.gz AUTUNUHRAAPQCK-UHFFFAOYSA-N 2 2 346.431 1.794 20 30 EDEDLP C#CC[N@@H+](C)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000491153544 447938741 /nfs/dbraw/zinc/93/87/41/447938741.db2.gz AUTUNUHRAAPQCK-UHFFFAOYSA-N 2 2 346.431 1.794 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000577054532 448200303 /nfs/dbraw/zinc/20/03/03/448200303.db2.gz BFMSBFALHOPPJA-QGZVFWFLSA-N 3 2 326.448 1.627 20 30 EDEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562994287 448279979 /nfs/dbraw/zinc/27/99/79/448279979.db2.gz WUMBHWDIFTXGNZ-SOLBZPMBSA-N 2 2 334.460 1.811 20 30 EDEDLP Cc1ccc([C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000568750868 448914771 /nfs/dbraw/zinc/91/47/71/448914771.db2.gz NBVPMFSTRMPTJR-VQTJNVASSA-N 2 2 344.503 1.928 20 30 EDEDLP Cc1ccc([C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000568750868 448914776 /nfs/dbraw/zinc/91/47/76/448914776.db2.gz NBVPMFSTRMPTJR-VQTJNVASSA-N 2 2 344.503 1.928 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713461 449512472 /nfs/dbraw/zinc/51/24/72/449512472.db2.gz ALLNOZLHUJPCFL-DLBZAZTESA-N 2 2 339.480 1.004 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713461 449512476 /nfs/dbraw/zinc/51/24/76/449512476.db2.gz ALLNOZLHUJPCFL-DLBZAZTESA-N 2 2 339.480 1.004 20 30 EDEDLP C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000599332288 449898770 /nfs/dbraw/zinc/89/87/70/449898770.db2.gz RRZLXIQYZGHTTF-IXDOHACOSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000599332288 449898776 /nfs/dbraw/zinc/89/87/76/449898776.db2.gz RRZLXIQYZGHTTF-IXDOHACOSA-N 2 2 332.448 1.837 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C[C@@H](C)N1CC#N ZINC000602853866 449860047 /nfs/dbraw/zinc/86/00/47/449860047.db2.gz MKWPEYNIXIHDFJ-FNCFJJJESA-N 2 2 346.523 1.213 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599474098 450003356 /nfs/dbraw/zinc/00/33/56/450003356.db2.gz HQKXQMJSJMYDTD-GOSISDBHSA-N 2 2 345.443 1.095 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000595516040 450199719 /nfs/dbraw/zinc/19/97/19/450199719.db2.gz PBBVAYGBAYNRKU-INIZCTEOSA-N 2 2 347.507 1.928 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000595516040 450199723 /nfs/dbraw/zinc/19/97/23/450199723.db2.gz PBBVAYGBAYNRKU-INIZCTEOSA-N 2 2 347.507 1.928 20 30 EDEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000603833322 450356104 /nfs/dbraw/zinc/35/61/04/450356104.db2.gz GCVVRHYOXVSWBD-IRXDYDNUSA-N 2 2 326.444 1.701 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C(C)C ZINC000624738724 450976178 /nfs/dbraw/zinc/97/61/78/450976178.db2.gz MJJKOTPATLMPHC-IRXDYDNUSA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C(C)C ZINC000624738724 450976184 /nfs/dbraw/zinc/97/61/84/450976184.db2.gz MJJKOTPATLMPHC-IRXDYDNUSA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[C@]1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCC[NH2+]1 ZINC000638585207 451590854 /nfs/dbraw/zinc/59/08/54/451590854.db2.gz UGNXZZGTZJTGNW-GOSISDBHSA-N 2 2 331.464 2.135 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000657292875 453758578 /nfs/dbraw/zinc/75/85/78/453758578.db2.gz FJGKVIDTHKTTET-UHFFFAOYSA-N 2 2 341.459 1.976 20 30 EDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1CCc2ncnn2C1 ZINC000132434341 528807866 /nfs/dbraw/zinc/80/78/66/528807866.db2.gz XJEWZHRXLHIZAA-OAHLLOKOSA-N 2 2 327.436 1.094 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134630 578693022 /nfs/dbraw/zinc/69/30/22/578693022.db2.gz DVCQTAUPFGIXBO-SFHVURJKSA-N 2 2 329.444 1.687 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000748815066 579701294 /nfs/dbraw/zinc/70/12/94/579701294.db2.gz LLQYLNYHVCFSFV-QGZVFWFLSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@H](C)c2ccccc2)C2CC2)CC1 ZINC000748815066 579701295 /nfs/dbraw/zinc/70/12/95/579701295.db2.gz LLQYLNYHVCFSFV-QGZVFWFLSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000748816640 579701469 /nfs/dbraw/zinc/70/14/69/579701469.db2.gz UCKAUETZDDJLKH-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000748816640 579701470 /nfs/dbraw/zinc/70/14/70/579701470.db2.gz UCKAUETZDDJLKH-UHFFFAOYSA-N 2 2 331.435 1.814 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000764052822 580112268 /nfs/dbraw/zinc/11/22/68/580112268.db2.gz JWFWDIARNSLGDG-UHFFFAOYSA-N 2 2 344.459 1.324 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112740 /nfs/dbraw/zinc/11/27/40/580112740.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112741 /nfs/dbraw/zinc/11/27/41/580112741.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112742 /nfs/dbraw/zinc/11/27/42/580112742.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112743 /nfs/dbraw/zinc/11/27/43/580112743.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 2 2 347.409 1.924 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000786124587 580662147 /nfs/dbraw/zinc/66/21/47/580662147.db2.gz HEMKKHOSKRTNEN-AZUAARDMSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000786124587 580662148 /nfs/dbraw/zinc/66/21/48/580662148.db2.gz HEMKKHOSKRTNEN-AZUAARDMSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000788598602 580725450 /nfs/dbraw/zinc/72/54/50/580725450.db2.gz DOGSXAGZBISCCY-UHFFFAOYSA-N 2 2 335.473 1.078 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896520673 591490291 /nfs/dbraw/zinc/49/02/91/591490291.db2.gz LPKFYQOQLKEXMR-QGZVFWFLSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896520673 591490294 /nfs/dbraw/zinc/49/02/94/591490294.db2.gz LPKFYQOQLKEXMR-QGZVFWFLSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896520673 591490296 /nfs/dbraw/zinc/49/02/96/591490296.db2.gz LPKFYQOQLKEXMR-QGZVFWFLSA-N 2 2 329.448 1.394 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896520673 591490298 /nfs/dbraw/zinc/49/02/98/591490298.db2.gz LPKFYQOQLKEXMR-QGZVFWFLSA-N 2 2 329.448 1.394 20 30 EDEDLP N#CC1CCC(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)CC1 ZINC000903454349 592173602 /nfs/dbraw/zinc/17/36/02/592173602.db2.gz YNGGJPHMZUUMEJ-UHFFFAOYSA-N 2 2 328.464 1.891 20 30 EDEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825883982 594268343 /nfs/dbraw/zinc/26/83/43/594268343.db2.gz SWUDFJIPDNQUSA-UHFFFAOYSA-N 2 2 343.782 1.822 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827323979 594661163 /nfs/dbraw/zinc/66/11/63/594661163.db2.gz VMKHPEBLKKVDLY-NZSAHSFTSA-N 2 2 349.519 1.820 20 30 EDEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827323979 594661164 /nfs/dbraw/zinc/66/11/64/594661164.db2.gz VMKHPEBLKKVDLY-NZSAHSFTSA-N 2 2 349.519 1.820 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827348153 594663451 /nfs/dbraw/zinc/66/34/51/594663451.db2.gz YWLYTXGOQCILPU-INIZCTEOSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827348153 594663452 /nfs/dbraw/zinc/66/34/52/594663452.db2.gz YWLYTXGOQCILPU-INIZCTEOSA-N 2 2 344.434 1.938 20 30 EDEDLP COc1ccccc1C[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852865827 595585995 /nfs/dbraw/zinc/58/59/95/595585995.db2.gz PTSVEDIWRZLNDM-UHFFFAOYSA-N 2 2 341.455 1.342 20 30 EDEDLP C[C@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729421 596679640 /nfs/dbraw/zinc/67/96/40/596679640.db2.gz NWYZNGVVZNXINI-RHSMWYFYSA-N 2 2 333.432 1.581 20 30 EDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875919505 597034858 /nfs/dbraw/zinc/03/48/58/597034858.db2.gz KFNMJPCSJHFPBU-INIZCTEOSA-N 2 2 338.496 1.082 20 30 EDEDLP C#CC[C@@H](CCOC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875919505 597034862 /nfs/dbraw/zinc/03/48/62/597034862.db2.gz KFNMJPCSJHFPBU-INIZCTEOSA-N 2 2 338.496 1.082 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000876727499 597308210 /nfs/dbraw/zinc/30/82/10/597308210.db2.gz MGPXKKNUIZOEDZ-IBGZPJMESA-N 2 2 349.438 1.637 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCNc1cccc[nH+]1 ZINC000876727456 597308470 /nfs/dbraw/zinc/30/84/70/597308470.db2.gz LAKBWIBYWVCILP-SFHVURJKSA-N 2 2 335.411 1.758 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876730431 597310898 /nfs/dbraw/zinc/31/08/98/597310898.db2.gz GITYVABEYWPBIV-RDJZCZTQSA-N 2 2 335.411 1.874 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000884200574 598026067 /nfs/dbraw/zinc/02/60/67/598026067.db2.gz FUQHHXFHRMTKBI-KFWWJZLASA-N 2 2 339.480 1.306 20 30 EDEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000917199115 696969736 /nfs/dbraw/zinc/96/97/36/696969736.db2.gz SGFYMFTUEQAPJG-SOUVJXGZSA-N 2 2 333.395 1.375 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC000939209246 699355391 /nfs/dbraw/zinc/35/53/91/699355391.db2.gz FUHPAIDLPWDKRF-PXAZEXFGSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810896 701203958 /nfs/dbraw/zinc/20/39/58/701203958.db2.gz YXPWQWHXXRRSBE-CZUORRHYSA-N 2 2 343.456 1.843 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810896 701203959 /nfs/dbraw/zinc/20/39/59/701203959.db2.gz YXPWQWHXXRRSBE-CZUORRHYSA-N 2 2 343.456 1.843 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000997039299 703290450 /nfs/dbraw/zinc/29/04/50/703290450.db2.gz BPZXABHVGYBYFU-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095526 704182736 /nfs/dbraw/zinc/18/27/36/704182736.db2.gz ZAKNRKVINVYOLK-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095526 704182739 /nfs/dbraw/zinc/18/27/39/704182739.db2.gz ZAKNRKVINVYOLK-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095526 704182741 /nfs/dbraw/zinc/18/27/41/704182741.db2.gz ZAKNRKVINVYOLK-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095526 704182744 /nfs/dbraw/zinc/18/27/44/704182744.db2.gz ZAKNRKVINVYOLK-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004464498 704456425 /nfs/dbraw/zinc/45/64/25/704456425.db2.gz OWHOOIIMTRMXCT-NUJGCVRESA-N 2 2 326.444 1.849 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004464498 704456426 /nfs/dbraw/zinc/45/64/26/704456426.db2.gz OWHOOIIMTRMXCT-NUJGCVRESA-N 2 2 326.444 1.849 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004464498 704456427 /nfs/dbraw/zinc/45/64/27/704456427.db2.gz OWHOOIIMTRMXCT-NUJGCVRESA-N 2 2 326.444 1.849 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004464498 704456428 /nfs/dbraw/zinc/45/64/28/704456428.db2.gz OWHOOIIMTRMXCT-NUJGCVRESA-N 2 2 326.444 1.849 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001032585426 705062334 /nfs/dbraw/zinc/06/23/34/705062334.db2.gz IFTPUXCZVQAIQU-OKZBNKHCSA-N 2 2 333.476 1.491 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585426 705062336 /nfs/dbraw/zinc/06/23/36/705062336.db2.gz IFTPUXCZVQAIQU-OKZBNKHCSA-N 2 2 333.476 1.491 20 30 EDEDLP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001032585426 705062337 /nfs/dbraw/zinc/06/23/37/705062337.db2.gz IFTPUXCZVQAIQU-OKZBNKHCSA-N 2 2 333.476 1.491 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998257972 705621650 /nfs/dbraw/zinc/62/16/50/705621650.db2.gz FPRXRUCNMKTOST-RYUDHWBXSA-N 2 2 330.354 1.897 20 30 EDEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629661 705753067 /nfs/dbraw/zinc/75/30/67/705753067.db2.gz HUIUIRTZIBRTDC-GJZGRUSLSA-N 2 2 330.432 1.745 20 30 EDEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629661 705753069 /nfs/dbraw/zinc/75/30/69/705753069.db2.gz HUIUIRTZIBRTDC-GJZGRUSLSA-N 2 2 330.432 1.745 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297962 707435243 /nfs/dbraw/zinc/43/52/43/707435243.db2.gz XDURJIPDRXIJNK-MSOLQXFVSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297962 707435247 /nfs/dbraw/zinc/43/52/47/707435247.db2.gz XDURJIPDRXIJNK-MSOLQXFVSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297962 707435249 /nfs/dbraw/zinc/43/52/49/707435249.db2.gz XDURJIPDRXIJNK-MSOLQXFVSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297962 707435253 /nfs/dbraw/zinc/43/52/53/707435253.db2.gz XDURJIPDRXIJNK-MSOLQXFVSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)CC1 ZINC001032801754 708084803 /nfs/dbraw/zinc/08/48/03/708084803.db2.gz LEUIQAYHAAVRHQ-OALUTQOASA-N 2 2 338.455 1.212 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)CC1 ZINC001032801754 708084805 /nfs/dbraw/zinc/08/48/05/708084805.db2.gz LEUIQAYHAAVRHQ-OALUTQOASA-N 2 2 338.455 1.212 20 30 EDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001683744 708181231 /nfs/dbraw/zinc/18/12/31/708181231.db2.gz GGUYELANIQUXFK-IBGZPJMESA-N 2 2 349.519 1.892 20 30 EDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001683744 708181233 /nfs/dbraw/zinc/18/12/33/708181233.db2.gz GGUYELANIQUXFK-IBGZPJMESA-N 2 2 349.519 1.892 20 30 EDEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664435 708445925 /nfs/dbraw/zinc/44/59/25/708445925.db2.gz GUZONSISWBHNFB-CRAIPNDOSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664435 708445926 /nfs/dbraw/zinc/44/59/26/708445926.db2.gz GUZONSISWBHNFB-CRAIPNDOSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664435 708445929 /nfs/dbraw/zinc/44/59/29/708445929.db2.gz GUZONSISWBHNFB-CRAIPNDOSA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664435 708445932 /nfs/dbraw/zinc/44/59/32/708445932.db2.gz GUZONSISWBHNFB-CRAIPNDOSA-N 2 2 344.434 1.682 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956879 709138888 /nfs/dbraw/zinc/13/88/88/709138888.db2.gz IDDYAMLYNICQLR-SJORKVTESA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956879 709138891 /nfs/dbraw/zinc/13/88/91/709138891.db2.gz IDDYAMLYNICQLR-SJORKVTESA-N 2 2 328.460 1.700 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279827 709696353 /nfs/dbraw/zinc/69/63/53/709696353.db2.gz XUIPYPPWDACGFY-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034279827 709696354 /nfs/dbraw/zinc/69/63/54/709696354.db2.gz XUIPYPPWDACGFY-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279827 709696356 /nfs/dbraw/zinc/69/63/56/709696356.db2.gz XUIPYPPWDACGFY-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034279827 709696358 /nfs/dbraw/zinc/69/63/58/709696358.db2.gz XUIPYPPWDACGFY-HZPDHXFCSA-N 2 2 328.460 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032837231 710187699 /nfs/dbraw/zinc/18/76/99/710187699.db2.gz UWPUGXMVJCGNKR-QYZOEREBSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032837231 710187702 /nfs/dbraw/zinc/18/77/02/710187702.db2.gz UWPUGXMVJCGNKR-QYZOEREBSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032837231 710187705 /nfs/dbraw/zinc/18/77/05/710187705.db2.gz UWPUGXMVJCGNKR-QYZOEREBSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032837231 710187710 /nfs/dbraw/zinc/18/77/10/710187710.db2.gz UWPUGXMVJCGNKR-QYZOEREBSA-N 2 2 347.503 1.216 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652161 712203402 /nfs/dbraw/zinc/20/34/02/712203402.db2.gz NNAYOVMFCYNXOJ-IXDOHACOSA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652161 712203405 /nfs/dbraw/zinc/20/34/05/712203405.db2.gz NNAYOVMFCYNXOJ-IXDOHACOSA-N 2 2 328.460 1.802 20 30 EDEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000069030042 215354178 /nfs/dbraw/zinc/35/41/78/215354178.db2.gz UUCCWQDKVJBVPX-UHFFFAOYSA-N 2 2 342.443 1.541 20 30 EDEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000346239414 250042359 /nfs/dbraw/zinc/04/23/59/250042359.db2.gz FKWVPKJOQAHXQE-CQSZACIVSA-N 2 2 343.431 1.163 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374715770 250271153 /nfs/dbraw/zinc/27/11/53/250271153.db2.gz JWIQRZQHQHQWPN-HRCADAONSA-N 2 2 330.494 1.066 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374715770 250271157 /nfs/dbraw/zinc/27/11/57/250271157.db2.gz JWIQRZQHQHQWPN-HRCADAONSA-N 2 2 330.494 1.066 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491677619 255139510 /nfs/dbraw/zinc/13/95/10/255139510.db2.gz QXWCWLBJWMPEBC-QGZVFWFLSA-N 3 2 328.460 1.559 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491677619 255139511 /nfs/dbraw/zinc/13/95/11/255139511.db2.gz QXWCWLBJWMPEBC-QGZVFWFLSA-N 3 2 328.460 1.559 20 30 EDEDLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000333494006 141326332 /nfs/dbraw/zinc/32/63/32/141326332.db2.gz DPBNWYAKIMJBLR-YJBOKZPZSA-N 2 2 341.459 1.526 20 30 EDEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357747375 151136471 /nfs/dbraw/zinc/13/64/71/151136471.db2.gz WMCXUOCGSBRXNR-UHFFFAOYSA-N 2 2 338.415 1.428 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000361438544 152396266 /nfs/dbraw/zinc/39/62/66/152396266.db2.gz ALGSUBYTANMSMT-RBUKOAKNSA-N 2 2 329.444 1.652 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000361438542 152396270 /nfs/dbraw/zinc/39/62/70/152396270.db2.gz ALGSUBYTANMSMT-MOPGFXCFSA-N 2 2 329.444 1.652 20 30 EDEDLP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1C#N ZINC000282441385 266811795 /nfs/dbraw/zinc/81/17/95/266811795.db2.gz UMSSHGUQERHWBO-UHFFFAOYSA-N 2 2 328.460 1.780 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)[C@@H]3CCOC3)CC2)cc1 ZINC000280435174 268065303 /nfs/dbraw/zinc/06/53/03/268065303.db2.gz CDUDHMMQHAUKBE-RTBURBONSA-N 2 2 343.471 1.757 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718607 441254151 /nfs/dbraw/zinc/25/41/51/441254151.db2.gz QRIYAOJCAZCOLP-KRWDZBQOSA-N 2 2 331.464 1.450 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718607 441254157 /nfs/dbraw/zinc/25/41/57/441254157.db2.gz QRIYAOJCAZCOLP-KRWDZBQOSA-N 2 2 331.464 1.450 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000081645235 441299178 /nfs/dbraw/zinc/29/91/78/441299178.db2.gz MHZBLVOHNBXZNH-LJQANCHMSA-N 2 2 341.455 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000081645235 441299181 /nfs/dbraw/zinc/29/91/81/441299181.db2.gz MHZBLVOHNBXZNH-LJQANCHMSA-N 2 2 341.455 1.610 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073228488 441303359 /nfs/dbraw/zinc/30/33/59/441303359.db2.gz OFHHGSXLEXWECS-SFHVURJKSA-N 2 2 326.444 1.214 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073228488 441303361 /nfs/dbraw/zinc/30/33/61/441303361.db2.gz OFHHGSXLEXWECS-SFHVURJKSA-N 2 2 326.444 1.214 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322177 441422600 /nfs/dbraw/zinc/42/26/00/441422600.db2.gz LMFMSAWMXFXQSS-UHFFFAOYSA-N 2 2 344.459 1.595 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322177 441422603 /nfs/dbraw/zinc/42/26/03/441422603.db2.gz LMFMSAWMXFXQSS-UHFFFAOYSA-N 2 2 344.459 1.595 20 30 EDEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000115541467 441752817 /nfs/dbraw/zinc/75/28/17/441752817.db2.gz AOBWEXWRRNVHGT-SFHVURJKSA-N 2 2 342.443 1.129 20 30 EDEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000170913310 442287655 /nfs/dbraw/zinc/28/76/55/442287655.db2.gz XVAOEJYSPXABDP-AWEZNQCLSA-N 2 2 336.436 1.541 20 30 EDEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000170913310 442287658 /nfs/dbraw/zinc/28/76/58/442287658.db2.gz XVAOEJYSPXABDP-AWEZNQCLSA-N 2 2 336.436 1.541 20 30 EDEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000177312978 442327520 /nfs/dbraw/zinc/32/75/20/442327520.db2.gz FXCKXXKPFOKTKA-SQNIBIBYSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000177312978 442327522 /nfs/dbraw/zinc/32/75/22/442327522.db2.gz FXCKXXKPFOKTKA-SQNIBIBYSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000177312978 442327527 /nfs/dbraw/zinc/32/75/27/442327527.db2.gz FXCKXXKPFOKTKA-SQNIBIBYSA-N 2 2 329.444 1.857 20 30 EDEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000177312978 442327528 /nfs/dbraw/zinc/32/75/28/442327528.db2.gz FXCKXXKPFOKTKA-SQNIBIBYSA-N 2 2 329.444 1.857 20 30 EDEDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000155676071 442418226 /nfs/dbraw/zinc/41/82/26/442418226.db2.gz JPALDOUQDASGCJ-KXBFYZLASA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CCO1 ZINC000155676071 442418229 /nfs/dbraw/zinc/41/82/29/442418229.db2.gz JPALDOUQDASGCJ-KXBFYZLASA-N 2 2 329.444 1.777 20 30 EDEDLP NC(=[NH+]OCC[C@H]1CCCO1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000189279913 442911682 /nfs/dbraw/zinc/91/16/82/442911682.db2.gz WYTXZMSVEOMVPX-QGZVFWFLSA-N 2 2 347.459 1.849 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191286067 443272155 /nfs/dbraw/zinc/27/21/55/443272155.db2.gz POICXGZLOHQBMM-CALCHBBNSA-N 2 2 329.492 1.887 20 30 EDEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191286067 443272158 /nfs/dbraw/zinc/27/21/58/443272158.db2.gz POICXGZLOHQBMM-CALCHBBNSA-N 2 2 329.492 1.887 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCc2ccco2)cc1 ZINC000267025999 443316463 /nfs/dbraw/zinc/31/64/63/443316463.db2.gz SZQOTBBXKOPIFN-UHFFFAOYSA-N 2 2 330.388 1.295 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264654890 443363162 /nfs/dbraw/zinc/36/31/62/443363162.db2.gz XTQZQSZOSDQAJN-SFHVURJKSA-N 2 2 343.475 1.466 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264654890 443363166 /nfs/dbraw/zinc/36/31/66/443363166.db2.gz XTQZQSZOSDQAJN-SFHVURJKSA-N 2 2 343.475 1.466 20 30 EDEDLP CN(C(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000273345579 443567400 /nfs/dbraw/zinc/56/74/00/443567400.db2.gz ONONJFOWGNBKLK-UHFFFAOYSA-N 2 2 343.519 1.993 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289405431 444132129 /nfs/dbraw/zinc/13/21/29/444132129.db2.gz OQVIWPBDLGZORN-UHFFFAOYSA-N 2 2 330.432 1.995 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000321963489 444338405 /nfs/dbraw/zinc/33/84/05/444338405.db2.gz QNNCAPSPQHZOPX-UHFFFAOYSA-N 2 2 332.429 1.598 20 30 EDEDLP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331053601 444375692 /nfs/dbraw/zinc/37/56/92/444375692.db2.gz ZPUHEYDEMOHIPF-HUUCEWRRSA-N 2 2 336.484 1.353 20 30 EDEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000328734087 444444546 /nfs/dbraw/zinc/44/45/46/444444546.db2.gz YIPSGEIYZILELV-OAHLLOKOSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000328734087 444444551 /nfs/dbraw/zinc/44/45/51/444444551.db2.gz YIPSGEIYZILELV-OAHLLOKOSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000328734087 444444552 /nfs/dbraw/zinc/44/45/52/444444552.db2.gz YIPSGEIYZILELV-OAHLLOKOSA-N 2 2 326.485 1.333 20 30 EDEDLP CC[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000328734087 444444557 /nfs/dbraw/zinc/44/45/57/444444557.db2.gz YIPSGEIYZILELV-OAHLLOKOSA-N 2 2 326.485 1.333 20 30 EDEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000329228226 444506702 /nfs/dbraw/zinc/50/67/02/444506702.db2.gz BQIYDUCTNLRZSP-INIZCTEOSA-N 2 2 345.491 1.638 20 30 EDEDLP C[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329584611 444638089 /nfs/dbraw/zinc/63/80/89/444638089.db2.gz XXMMDFBMIRBYKN-HNNXBMFYSA-N 2 2 345.447 1.171 20 30 EDEDLP C[N@H+]1CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329584611 444638094 /nfs/dbraw/zinc/63/80/94/444638094.db2.gz XXMMDFBMIRBYKN-HNNXBMFYSA-N 2 2 345.447 1.171 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)CCC2 ZINC000329853519 444741021 /nfs/dbraw/zinc/74/10/21/444741021.db2.gz SCDYZRJKCNVEQH-JYJNAYRXSA-N 2 2 349.479 1.370 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)CCC2 ZINC000329853519 444741026 /nfs/dbraw/zinc/74/10/26/444741026.db2.gz SCDYZRJKCNVEQH-JYJNAYRXSA-N 2 2 349.479 1.370 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000329945081 444780269 /nfs/dbraw/zinc/78/02/69/444780269.db2.gz FOBBLVOSNKKAAW-HNNXBMFYSA-N 2 2 348.495 1.497 20 30 EDEDLP CCN1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329944462 444780905 /nfs/dbraw/zinc/78/09/05/444780905.db2.gz FFGHRGKUFBDVGO-LSDHHAIUSA-N 2 2 334.468 1.487 20 30 EDEDLP CCN1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329944462 444780910 /nfs/dbraw/zinc/78/09/10/444780910.db2.gz FFGHRGKUFBDVGO-LSDHHAIUSA-N 2 2 334.468 1.487 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330128726 444854326 /nfs/dbraw/zinc/85/43/26/444854326.db2.gz NXNGRDAFNKKQIV-YJBOKZPZSA-N 2 2 339.480 1.697 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330128726 444854330 /nfs/dbraw/zinc/85/43/30/444854330.db2.gz NXNGRDAFNKKQIV-YJBOKZPZSA-N 2 2 339.480 1.697 20 30 EDEDLP C=CCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168681 445069848 /nfs/dbraw/zinc/06/98/48/445069848.db2.gz JMGCVHGTKDPVLO-ZWKOTPCHSA-N 2 2 337.508 1.985 20 30 EDEDLP C=CCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168681 445069850 /nfs/dbraw/zinc/06/98/50/445069850.db2.gz JMGCVHGTKDPVLO-ZWKOTPCHSA-N 2 2 337.508 1.985 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330822150 445155130 /nfs/dbraw/zinc/15/51/30/445155130.db2.gz GDYSAAFRJIRWPK-GOSISDBHSA-N 2 2 326.444 1.491 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330822150 445155131 /nfs/dbraw/zinc/15/51/31/445155131.db2.gz GDYSAAFRJIRWPK-GOSISDBHSA-N 2 2 326.444 1.491 20 30 EDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226726 446023267 /nfs/dbraw/zinc/02/32/67/446023267.db2.gz XPCVOFJVAOTLFL-YJBOKZPZSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226726 446023272 /nfs/dbraw/zinc/02/32/72/446023272.db2.gz XPCVOFJVAOTLFL-YJBOKZPZSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226726 446023275 /nfs/dbraw/zinc/02/32/75/446023275.db2.gz XPCVOFJVAOTLFL-YJBOKZPZSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000354226726 446023279 /nfs/dbraw/zinc/02/32/79/446023279.db2.gz XPCVOFJVAOTLFL-YJBOKZPZSA-N 2 2 328.460 1.979 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369355104 446098880 /nfs/dbraw/zinc/09/88/80/446098880.db2.gz OSORRNOXIXQWSV-QZTJIDSGSA-N 2 2 334.508 1.287 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369355104 446098886 /nfs/dbraw/zinc/09/88/86/446098886.db2.gz OSORRNOXIXQWSV-QZTJIDSGSA-N 2 2 334.508 1.287 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839545 446377301 /nfs/dbraw/zinc/37/73/01/446377301.db2.gz BIDBOOIZYRFRSI-GOEBONIOSA-N 2 2 349.394 1.413 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839545 446377307 /nfs/dbraw/zinc/37/73/07/446377307.db2.gz BIDBOOIZYRFRSI-GOEBONIOSA-N 2 2 349.394 1.413 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367116498 446509628 /nfs/dbraw/zinc/50/96/28/446509628.db2.gz DEUKQFDZJFRIKN-KXBFYZLASA-N 2 2 335.411 1.927 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367116498 446509633 /nfs/dbraw/zinc/50/96/33/446509633.db2.gz DEUKQFDZJFRIKN-KXBFYZLASA-N 2 2 335.411 1.927 20 30 EDEDLP C#CCOc1ccccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000371664653 446945770 /nfs/dbraw/zinc/94/57/70/446945770.db2.gz WTZDYBCSNDLYLY-IBGZPJMESA-N 2 2 343.471 1.195 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000451595671 447740863 /nfs/dbraw/zinc/74/08/63/447740863.db2.gz DSIRBUXEVFCRMP-MSOLQXFVSA-N 2 2 345.443 1.390 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000491209365 447957955 /nfs/dbraw/zinc/95/79/55/447957955.db2.gz GDZWLRRVSHUHIX-DZGCQCFKSA-N 2 2 344.286 1.280 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000491209365 447957960 /nfs/dbraw/zinc/95/79/60/447957960.db2.gz GDZWLRRVSHUHIX-DZGCQCFKSA-N 2 2 344.286 1.280 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC000591729123 448475089 /nfs/dbraw/zinc/47/50/89/448475089.db2.gz PMOICUMLGOJQEP-UHFFFAOYSA-N 2 2 348.472 1.191 20 30 EDEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528383777 448507349 /nfs/dbraw/zinc/50/73/49/448507349.db2.gz UELGHPQTAKEAGI-OAHLLOKOSA-N 2 2 325.412 1.170 20 30 EDEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528383777 448507355 /nfs/dbraw/zinc/50/73/55/448507355.db2.gz UELGHPQTAKEAGI-OAHLLOKOSA-N 2 2 325.412 1.170 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000528395956 448512375 /nfs/dbraw/zinc/51/23/75/448512375.db2.gz MSFCIOFTKPXNCT-HZPDHXFCSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000528395956 448512377 /nfs/dbraw/zinc/51/23/77/448512377.db2.gz MSFCIOFTKPXNCT-HZPDHXFCSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395956 448512383 /nfs/dbraw/zinc/51/23/83/448512383.db2.gz MSFCIOFTKPXNCT-HZPDHXFCSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395956 448512385 /nfs/dbraw/zinc/51/23/85/448512385.db2.gz MSFCIOFTKPXNCT-HZPDHXFCSA-N 2 2 339.439 1.701 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000528550276 448582216 /nfs/dbraw/zinc/58/22/16/448582216.db2.gz HOIRAIGFCBBFAQ-SFHVURJKSA-N 2 2 345.443 1.095 20 30 EDEDLP Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000594820684 449729507 /nfs/dbraw/zinc/72/95/07/449729507.db2.gz FZUMOZFNCXRWLN-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP Cc1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000594820684 449729513 /nfs/dbraw/zinc/72/95/13/449729513.db2.gz FZUMOZFNCXRWLN-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847246 449854323 /nfs/dbraw/zinc/85/43/23/449854323.db2.gz VAGUJSSHKSBDIB-GOSISDBHSA-N 2 2 335.411 1.692 20 30 EDEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602847246 449854327 /nfs/dbraw/zinc/85/43/27/449854327.db2.gz VAGUJSSHKSBDIB-GOSISDBHSA-N 2 2 335.411 1.692 20 30 EDEDLP CN(C(=O)CC1(C#N)CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597213928 449874489 /nfs/dbraw/zinc/87/44/89/449874489.db2.gz RKGBPSDNFDRNKE-KRWDZBQOSA-N 2 2 348.491 1.324 20 30 EDEDLP CN(C(=O)CC1(C#N)CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597213928 449874494 /nfs/dbraw/zinc/87/44/94/449874494.db2.gz RKGBPSDNFDRNKE-KRWDZBQOSA-N 2 2 348.491 1.324 20 30 EDEDLP C[NH+]1CCC2(CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000602878027 449886321 /nfs/dbraw/zinc/88/63/21/449886321.db2.gz OPVIQYCBVGBZJH-UHFFFAOYSA-N 2 2 348.472 1.145 20 30 EDEDLP C[NH+]1CCC2(CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000602878027 449886328 /nfs/dbraw/zinc/88/63/28/449886328.db2.gz OPVIQYCBVGBZJH-UHFFFAOYSA-N 2 2 348.472 1.145 20 30 EDEDLP CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000610521740 450252771 /nfs/dbraw/zinc/25/27/71/450252771.db2.gz SLSWUJDEUIUFFX-LJQANCHMSA-N 2 2 340.471 1.728 20 30 EDEDLP CN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000610521740 450252777 /nfs/dbraw/zinc/25/27/77/450252777.db2.gz SLSWUJDEUIUFFX-LJQANCHMSA-N 2 2 340.471 1.728 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000603427379 450297738 /nfs/dbraw/zinc/29/77/38/450297738.db2.gz HKKVJHDRZFWSIC-SFHVURJKSA-N 2 2 346.450 1.584 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656183676 452945004 /nfs/dbraw/zinc/94/50/04/452945004.db2.gz NXKSPIOTMKMIQX-ZACQAIPSSA-N 2 2 336.480 1.140 20 30 EDEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656183676 452945011 /nfs/dbraw/zinc/94/50/11/452945011.db2.gz NXKSPIOTMKMIQX-ZACQAIPSSA-N 2 2 336.480 1.140 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323424 453040383 /nfs/dbraw/zinc/04/03/83/453040383.db2.gz QIMWXNAKXKTTHJ-SJORKVTESA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323424 453040389 /nfs/dbraw/zinc/04/03/89/453040389.db2.gz QIMWXNAKXKTTHJ-SJORKVTESA-N 2 2 325.497 1.842 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC[NH2+]1 ZINC000662676518 453393884 /nfs/dbraw/zinc/39/38/84/453393884.db2.gz XWWVKQKHBCSROT-SFHVURJKSA-N 2 2 330.432 1.233 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000264127551 535490681 /nfs/dbraw/zinc/49/06/81/535490681.db2.gz NJALOYYNAQZQFB-UHFFFAOYSA-N 2 2 344.459 1.423 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264106116 535549336 /nfs/dbraw/zinc/54/93/36/535549336.db2.gz PLNYIZKZCICMHN-OAHLLOKOSA-N 3 2 344.438 1.900 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000264106116 535549342 /nfs/dbraw/zinc/54/93/42/535549342.db2.gz PLNYIZKZCICMHN-OAHLLOKOSA-N 3 2 344.438 1.900 20 30 EDEDLP Cc1nc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)oc1C ZINC000725792810 578282141 /nfs/dbraw/zinc/28/21/41/578282141.db2.gz QRCCPSQNTMLJID-UHFFFAOYSA-N 2 2 344.415 1.961 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000730280695 578639018 /nfs/dbraw/zinc/63/90/18/578639018.db2.gz YQELDBPEIKPRNG-KRWDZBQOSA-N 2 2 331.485 1.532 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000730280695 578639019 /nfs/dbraw/zinc/63/90/19/578639019.db2.gz YQELDBPEIKPRNG-KRWDZBQOSA-N 2 2 331.485 1.532 20 30 EDEDLP C[NH+](C)CCCNC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000731930615 578684452 /nfs/dbraw/zinc/68/44/52/578684452.db2.gz FDSFXHDEJOIYDF-UHFFFAOYSA-N 2 2 334.493 1.454 20 30 EDEDLP CCN(CC)c1ncc(C=[NH+]NC(=S)NCCC[NH+](C)C)s1 ZINC000731930576 578684476 /nfs/dbraw/zinc/68/44/76/578684476.db2.gz CXECEBQIJYNUCV-UHFFFAOYSA-N 2 2 342.538 1.739 20 30 EDEDLP C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747531540 579647734 /nfs/dbraw/zinc/64/77/34/579647734.db2.gz BRQKSBJEYXAHMG-FQEVSTJZSA-N 2 2 325.456 1.724 20 30 EDEDLP C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747531540 579647735 /nfs/dbraw/zinc/64/77/35/579647735.db2.gz BRQKSBJEYXAHMG-FQEVSTJZSA-N 2 2 325.456 1.724 20 30 EDEDLP C#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747531540 579647736 /nfs/dbraw/zinc/64/77/36/579647736.db2.gz BRQKSBJEYXAHMG-FQEVSTJZSA-N 2 2 325.456 1.724 20 30 EDEDLP C#CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747531540 579647737 /nfs/dbraw/zinc/64/77/37/579647737.db2.gz BRQKSBJEYXAHMG-FQEVSTJZSA-N 2 2 325.456 1.724 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000748817129 579701639 /nfs/dbraw/zinc/70/16/39/579701639.db2.gz JVUORROBLIAQBT-GOSISDBHSA-N 2 2 343.496 1.554 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000748817129 579701640 /nfs/dbraw/zinc/70/16/40/579701640.db2.gz JVUORROBLIAQBT-GOSISDBHSA-N 2 2 343.496 1.554 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]OCc3ccc(F)cc3)cn2)CC1 ZINC000758143614 579975921 /nfs/dbraw/zinc/97/59/21/579975921.db2.gz HYXRWMKDFLRMRU-UHFFFAOYSA-N 2 2 329.379 1.918 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000780385600 580520854 /nfs/dbraw/zinc/52/08/54/580520854.db2.gz SDCLJMNMOJDGHH-KGLIPLIRSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000780385600 580520855 /nfs/dbraw/zinc/52/08/55/580520855.db2.gz SDCLJMNMOJDGHH-KGLIPLIRSA-N 2 2 331.382 1.427 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000900016240 591868774 /nfs/dbraw/zinc/86/87/74/591868774.db2.gz NIWSWZRBFGRQEX-SFHVURJKSA-N 2 2 331.460 1.684 20 30 EDEDLP NC(=[NH+]OCCc1ccns1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902224981 591949051 /nfs/dbraw/zinc/94/90/51/591949051.db2.gz COABELDUNLEGLM-UHFFFAOYSA-N 2 2 346.456 1.855 20 30 EDEDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000903087273 592117881 /nfs/dbraw/zinc/11/78/81/592117881.db2.gz FDBLAQODTSKZHT-SJLPKXTDSA-N 2 2 343.475 1.400 20 30 EDEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000903449028 592173119 /nfs/dbraw/zinc/17/31/19/592173119.db2.gz NROOXFMZGXVFFM-INIZCTEOSA-N 2 2 332.835 1.608 20 30 EDEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000903449028 592173120 /nfs/dbraw/zinc/17/31/20/592173120.db2.gz NROOXFMZGXVFFM-INIZCTEOSA-N 2 2 332.835 1.608 20 30 EDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694995 592574721 /nfs/dbraw/zinc/57/47/21/592574721.db2.gz JNAXHKZTZXTZMJ-CABCVRRESA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694995 592574723 /nfs/dbraw/zinc/57/47/23/592574723.db2.gz JNAXHKZTZXTZMJ-CABCVRRESA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908694995 592574724 /nfs/dbraw/zinc/57/47/24/592574724.db2.gz JNAXHKZTZXTZMJ-CABCVRRESA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908694995 592574726 /nfs/dbraw/zinc/57/47/26/592574726.db2.gz JNAXHKZTZXTZMJ-CABCVRRESA-N 2 2 348.495 1.386 20 30 EDEDLP C#CC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000830338071 594377978 /nfs/dbraw/zinc/37/79/78/594377978.db2.gz QGXUJVPKQQFHKD-INIZCTEOSA-N 2 2 326.444 1.464 20 30 EDEDLP C[NH+]=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccco1 ZINC000849033337 595475329 /nfs/dbraw/zinc/47/53/29/595475329.db2.gz YNBHUCQCTYCEOZ-UHFFFAOYSA-N 2 2 341.459 1.767 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000852854912 595577363 /nfs/dbraw/zinc/57/73/63/595577363.db2.gz ATHVETMVQKCCQK-UHFFFAOYSA-N 2 2 341.455 1.138 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000884180802 598017200 /nfs/dbraw/zinc/01/72/00/598017200.db2.gz KLNMCADJHKJUCN-KRWDZBQOSA-N 2 2 345.443 1.345 20 30 EDEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994210176 696582903 /nfs/dbraw/zinc/58/29/03/696582903.db2.gz LFHYYQMZBIQWJF-NVXWUHKLSA-N 2 2 337.427 1.873 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994210176 696582906 /nfs/dbraw/zinc/58/29/06/696582906.db2.gz LFHYYQMZBIQWJF-NVXWUHKLSA-N 2 2 337.427 1.873 20 30 EDEDLP N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675915 697488435 /nfs/dbraw/zinc/48/84/35/697488435.db2.gz WOPDTORAAXUADL-IBGZPJMESA-N 2 2 338.455 1.448 20 30 EDEDLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031776199 699152838 /nfs/dbraw/zinc/15/28/38/699152838.db2.gz HBBJOPPBPJMUAV-SFHVURJKSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031776199 699152840 /nfs/dbraw/zinc/15/28/40/699152840.db2.gz HBBJOPPBPJMUAV-SFHVURJKSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031777150 699162206 /nfs/dbraw/zinc/16/22/06/699162206.db2.gz WSDCTBDEUOWXFS-IBGZPJMESA-N 2 2 343.446 1.710 20 30 EDEDLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031777150 699162207 /nfs/dbraw/zinc/16/22/07/699162207.db2.gz WSDCTBDEUOWXFS-IBGZPJMESA-N 2 2 343.446 1.710 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847067 700942017 /nfs/dbraw/zinc/94/20/17/700942017.db2.gz OIQKRMNOWDJOLU-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847067 700942018 /nfs/dbraw/zinc/94/20/18/700942018.db2.gz OIQKRMNOWDJOLU-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105769 700942943 /nfs/dbraw/zinc/94/29/43/700942943.db2.gz HZPMSEFADHMORT-PBHICJAKSA-N 2 2 337.427 1.899 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943948433 701705211 /nfs/dbraw/zinc/70/52/11/701705211.db2.gz IJWLFZVPTNBGPS-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](C)C1 ZINC000943948433 701705214 /nfs/dbraw/zinc/70/52/14/701705214.db2.gz IJWLFZVPTNBGPS-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000999185923 706615508 /nfs/dbraw/zinc/61/55/08/706615508.db2.gz MWOAYSRRHLHLBK-IXDOHACOSA-N 2 2 326.444 1.368 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995921208 702243152 /nfs/dbraw/zinc/24/31/52/702243152.db2.gz HHMRYXWVLCZJAW-LSDHHAIUSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000995921208 702243153 /nfs/dbraw/zinc/24/31/53/702243153.db2.gz HHMRYXWVLCZJAW-LSDHHAIUSA-N 2 2 346.500 1.567 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120439 702285721 /nfs/dbraw/zinc/28/57/21/702285721.db2.gz FACSLCFQIMTLBO-GOEBONIOSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120439 702285724 /nfs/dbraw/zinc/28/57/24/702285724.db2.gz FACSLCFQIMTLBO-GOEBONIOSA-N 2 2 325.416 1.894 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944123809 702298116 /nfs/dbraw/zinc/29/81/16/702298116.db2.gz WLMXMBMMHIQCOT-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944123809 702298122 /nfs/dbraw/zinc/29/81/22/702298122.db2.gz WLMXMBMMHIQCOT-DOTOQJQBSA-N 2 2 337.427 1.731 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001032410531 703441033 /nfs/dbraw/zinc/44/10/33/703441033.db2.gz IKHQLOIKWVSENE-GRGSLBFTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001032410531 703441034 /nfs/dbraw/zinc/44/10/34/703441034.db2.gz IKHQLOIKWVSENE-GRGSLBFTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001032410531 703441036 /nfs/dbraw/zinc/44/10/36/703441036.db2.gz IKHQLOIKWVSENE-GRGSLBFTSA-N 2 2 338.455 1.684 20 30 EDEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC[NH+]1C ZINC001032410531 703441038 /nfs/dbraw/zinc/44/10/38/703441038.db2.gz IKHQLOIKWVSENE-GRGSLBFTSA-N 2 2 338.455 1.684 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC000999398909 706893429 /nfs/dbraw/zinc/89/34/29/706893429.db2.gz QGHZHLLRDDQZJY-RDJZCZTQSA-N 2 2 344.459 1.415 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC000999398909 706893432 /nfs/dbraw/zinc/89/34/32/706893432.db2.gz QGHZHLLRDDQZJY-RDJZCZTQSA-N 2 2 344.459 1.415 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@H+](C)C2)CC1=O ZINC000140769612 707263760 /nfs/dbraw/zinc/26/37/60/707263760.db2.gz SFWKGLYVEWUEAD-LBPRGKRZSA-N 2 2 325.416 1.350 20 30 EDEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@@H+](C)C2)CC1=O ZINC000140769612 707263762 /nfs/dbraw/zinc/26/37/62/707263762.db2.gz SFWKGLYVEWUEAD-LBPRGKRZSA-N 2 2 325.416 1.350 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297965 707435298 /nfs/dbraw/zinc/43/52/98/707435298.db2.gz XDURJIPDRXIJNK-ZWKOTPCHSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297965 707435300 /nfs/dbraw/zinc/43/53/00/707435300.db2.gz XDURJIPDRXIJNK-ZWKOTPCHSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297965 707435305 /nfs/dbraw/zinc/43/53/05/707435305.db2.gz XDURJIPDRXIJNK-ZWKOTPCHSA-N 2 2 333.476 1.043 20 30 EDEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297965 707435306 /nfs/dbraw/zinc/43/53/06/707435306.db2.gz XDURJIPDRXIJNK-ZWKOTPCHSA-N 2 2 333.476 1.043 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000999837158 707473430 /nfs/dbraw/zinc/47/34/30/707473430.db2.gz QEMLWGUQOPXJLA-GOSISDBHSA-N 2 2 337.427 1.926 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033595784 708300202 /nfs/dbraw/zinc/30/02/02/708300202.db2.gz VBERPBCSLJXGHI-KRWDZBQOSA-N 2 2 337.427 1.567 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033595784 708300206 /nfs/dbraw/zinc/30/02/06/708300206.db2.gz VBERPBCSLJXGHI-KRWDZBQOSA-N 2 2 337.427 1.567 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033665552 708448962 /nfs/dbraw/zinc/44/89/62/708448962.db2.gz OPLIIRXRGKRNRE-IBGZPJMESA-N 2 2 336.439 1.776 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033665552 708448963 /nfs/dbraw/zinc/44/89/63/708448963.db2.gz OPLIIRXRGKRNRE-IBGZPJMESA-N 2 2 336.439 1.776 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032967560 711028151 /nfs/dbraw/zinc/02/81/51/711028151.db2.gz ITGCVEULCRCVGB-ZWKOTPCHSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032967560 711028155 /nfs/dbraw/zinc/02/81/55/711028155.db2.gz ITGCVEULCRCVGB-ZWKOTPCHSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967560 711028159 /nfs/dbraw/zinc/02/81/59/711028159.db2.gz ITGCVEULCRCVGB-ZWKOTPCHSA-N 2 2 326.444 1.685 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001032967560 711028164 /nfs/dbraw/zinc/02/81/64/711028164.db2.gz ITGCVEULCRCVGB-ZWKOTPCHSA-N 2 2 326.444 1.685 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004468957 711844228 /nfs/dbraw/zinc/84/42/28/711844228.db2.gz JVWMYYUQCYRQTL-GOSISDBHSA-N 2 2 341.455 1.969 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001004468957 711844230 /nfs/dbraw/zinc/84/42/30/711844230.db2.gz JVWMYYUQCYRQTL-GOSISDBHSA-N 2 2 341.455 1.969 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638712 712108467 /nfs/dbraw/zinc/10/84/67/712108467.db2.gz ZUCWERNJLPMLJQ-IYBDPMFKSA-N 2 2 329.444 1.989 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)CC[C@@H]2C1 ZINC000946638712 712108468 /nfs/dbraw/zinc/10/84/68/712108468.db2.gz ZUCWERNJLPMLJQ-IYBDPMFKSA-N 2 2 329.444 1.989 20 30 EDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329697806 539457961 /nfs/dbraw/zinc/45/79/61/539457961.db2.gz CJLGBEMJLBWECW-HNNXBMFYSA-N 2 2 333.436 1.040 20 30 EDEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263236804 249329508 /nfs/dbraw/zinc/32/95/08/249329508.db2.gz JVDUERZYJHQHMV-UHFFFAOYSA-N 2 2 332.839 1.673 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(F)c1 ZINC000424128153 252133199 /nfs/dbraw/zinc/13/31/99/252133199.db2.gz BPCWTNPLFNIODD-CABCVRRESA-N 2 2 329.379 1.786 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000490779754 255107172 /nfs/dbraw/zinc/10/71/72/255107172.db2.gz YYWRMWJLHGZPJF-UHFFFAOYSA-N 2 2 329.419 1.568 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000490779754 255107174 /nfs/dbraw/zinc/10/71/74/255107174.db2.gz YYWRMWJLHGZPJF-UHFFFAOYSA-N 2 2 329.419 1.568 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000490875326 255108143 /nfs/dbraw/zinc/10/81/43/255108143.db2.gz POQKPLMCRUZKQU-UHFFFAOYSA-N 2 2 331.485 1.738 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc(F)ccc2OC)CC1 ZINC000490917681 255108437 /nfs/dbraw/zinc/10/84/37/255108437.db2.gz YVWKLIRCTUGRFR-CQSZACIVSA-N 2 2 333.407 1.262 20 30 EDEDLP C#CCNC(=O)CC[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000491630818 255134069 /nfs/dbraw/zinc/13/40/69/255134069.db2.gz NORMGJLMSDMALF-UHFFFAOYSA-N 2 2 335.492 1.529 20 30 EDEDLP C#CCNC(=O)CC[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000491630818 255134071 /nfs/dbraw/zinc/13/40/71/255134071.db2.gz NORMGJLMSDMALF-UHFFFAOYSA-N 2 2 335.492 1.529 20 30 EDEDLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000455446148 267696846 /nfs/dbraw/zinc/69/68/46/267696846.db2.gz VNLWSZMNFHYXGW-HNNXBMFYSA-N 2 2 329.448 1.336 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000418805002 268219292 /nfs/dbraw/zinc/21/92/92/268219292.db2.gz ZQVGKTGKAXLXIE-QZTJIDSGSA-N 2 2 341.459 1.513 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000550714222 306153688 /nfs/dbraw/zinc/15/36/88/306153688.db2.gz VYPNEGYDDGKEID-UHFFFAOYSA-N 2 2 329.448 1.360 20 30 EDEDLP Cc1cc(C#N)cnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550714222 306153689 /nfs/dbraw/zinc/15/36/89/306153689.db2.gz VYPNEGYDDGKEID-UHFFFAOYSA-N 2 2 329.448 1.360 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422221294 447409617 /nfs/dbraw/zinc/40/96/17/447409617.db2.gz YCSVFFOZXYXNHR-UHFFFAOYSA-N 2 2 349.504 1.787 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422221294 447409622 /nfs/dbraw/zinc/40/96/22/447409622.db2.gz YCSVFFOZXYXNHR-UHFFFAOYSA-N 2 2 349.504 1.787 20 30 EDEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000065466626 441439972 /nfs/dbraw/zinc/43/99/72/441439972.db2.gz TYNXFJNTPHRDEP-KDOFPFPSSA-N 2 2 327.432 1.624 20 30 EDEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000065466626 441439976 /nfs/dbraw/zinc/43/99/76/441439976.db2.gz TYNXFJNTPHRDEP-KDOFPFPSSA-N 2 2 327.432 1.624 20 30 EDEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1ccc2c(c1)OCO2 ZINC000262764404 443211877 /nfs/dbraw/zinc/21/18/77/443211877.db2.gz FKSKPHGPIBZZEQ-UHFFFAOYSA-N 2 2 336.461 1.129 20 30 EDEDLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(C#N)n(C)c2)nc[nH+]1 ZINC000190971683 443217600 /nfs/dbraw/zinc/21/76/00/443217600.db2.gz RPLRVTIAGKYGHW-AWEZNQCLSA-N 2 2 325.420 1.487 20 30 EDEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264141326 443252918 /nfs/dbraw/zinc/25/29/18/443252918.db2.gz WMVAHHDESAPXFT-TZMCWYRMSA-N 2 2 338.452 1.246 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388446 443897713 /nfs/dbraw/zinc/89/77/13/443897713.db2.gz PPPCMDOUCYKUCR-CVEARBPZSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)C1=O ZINC000281388446 443897715 /nfs/dbraw/zinc/89/77/15/443897715.db2.gz PPPCMDOUCYKUCR-CVEARBPZSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388446 443897717 /nfs/dbraw/zinc/89/77/17/443897717.db2.gz PPPCMDOUCYKUCR-CVEARBPZSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)C1=O ZINC000281388446 443897718 /nfs/dbraw/zinc/89/77/18/443897718.db2.gz PPPCMDOUCYKUCR-CVEARBPZSA-N 2 2 348.516 1.992 20 30 EDEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289841457 444210537 /nfs/dbraw/zinc/21/05/37/444210537.db2.gz QTJRLPBXMFZOPU-GOSISDBHSA-N 2 2 349.500 1.951 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000296567711 444239115 /nfs/dbraw/zinc/23/91/15/444239115.db2.gz LISVTBZNMOFIDA-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000296567711 444239117 /nfs/dbraw/zinc/23/91/17/444239117.db2.gz LISVTBZNMOFIDA-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329582208 444638248 /nfs/dbraw/zinc/63/82/48/444638248.db2.gz AJLKIGXSJWDSMS-KKUMJFAQSA-N 2 2 347.463 1.366 20 30 EDEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329582208 444638250 /nfs/dbraw/zinc/63/82/50/444638250.db2.gz AJLKIGXSJWDSMS-KKUMJFAQSA-N 2 2 347.463 1.366 20 30 EDEDLP CCC[NH+]1CCC(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000329945891 444781059 /nfs/dbraw/zinc/78/10/59/444781059.db2.gz XNINPZMZXALSND-INIZCTEOSA-N 2 2 348.495 1.497 20 30 EDEDLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000344303712 444889608 /nfs/dbraw/zinc/88/96/08/444889608.db2.gz VZKDWPYRBRQFPI-LJQANCHMSA-N 2 2 326.444 1.733 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352717851 445550040 /nfs/dbraw/zinc/55/00/40/445550040.db2.gz WVNLXZIKZFJIPK-SFHVURJKSA-N 2 2 344.503 1.427 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352717851 445550047 /nfs/dbraw/zinc/55/00/47/445550047.db2.gz WVNLXZIKZFJIPK-SFHVURJKSA-N 2 2 344.503 1.427 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000364718800 445949039 /nfs/dbraw/zinc/94/90/39/445949039.db2.gz XXZSMKSFTCTVPG-HNNXBMFYSA-N 2 2 331.464 1.785 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226720 446022627 /nfs/dbraw/zinc/02/26/27/446022627.db2.gz XPCVOFJVAOTLFL-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226720 446022638 /nfs/dbraw/zinc/02/26/38/446022638.db2.gz XPCVOFJVAOTLFL-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226720 446022645 /nfs/dbraw/zinc/02/26/45/446022645.db2.gz XPCVOFJVAOTLFL-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226720 446022653 /nfs/dbraw/zinc/02/26/53/446022653.db2.gz XPCVOFJVAOTLFL-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000369252011 446023573 /nfs/dbraw/zinc/02/35/73/446023573.db2.gz DUCXJUXZLMJHIZ-INIZCTEOSA-N 2 2 327.432 1.848 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000369252011 446023579 /nfs/dbraw/zinc/02/35/79/446023579.db2.gz DUCXJUXZLMJHIZ-INIZCTEOSA-N 2 2 327.432 1.848 20 30 EDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000369397311 446115546 /nfs/dbraw/zinc/11/55/46/446115546.db2.gz FPYNJTUTELULJF-MJGOQNOKSA-N 2 2 349.523 1.141 20 30 EDEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000369397311 446115550 /nfs/dbraw/zinc/11/55/50/446115550.db2.gz FPYNJTUTELULJF-MJGOQNOKSA-N 2 2 349.523 1.141 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000365338857 446156333 /nfs/dbraw/zinc/15/63/33/446156333.db2.gz JGVSTIZPYNMLDZ-ZWKOTPCHSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000365338857 446156338 /nfs/dbraw/zinc/15/63/38/446156338.db2.gz JGVSTIZPYNMLDZ-ZWKOTPCHSA-N 2 2 336.524 1.511 20 30 EDEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000438292746 446789385 /nfs/dbraw/zinc/78/93/85/446789385.db2.gz GFGWFBDDNDKDDG-WBVHZDCISA-N 2 2 338.496 1.293 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000576076596 447964276 /nfs/dbraw/zinc/96/42/76/447964276.db2.gz DLUUNAVMNWNWLL-INIZCTEOSA-N 2 2 328.441 1.871 20 30 EDEDLP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000576076596 447964280 /nfs/dbraw/zinc/96/42/80/447964280.db2.gz DLUUNAVMNWNWLL-INIZCTEOSA-N 2 2 328.441 1.871 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000579458728 448796615 /nfs/dbraw/zinc/79/66/15/448796615.db2.gz RQRMPRJIKJREBX-UHFFFAOYSA-N 2 2 344.459 1.294 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588648433 448907838 /nfs/dbraw/zinc/90/78/38/448907838.db2.gz XPIXMOGRBZKRHF-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cc(C#N)ccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588648433 448907840 /nfs/dbraw/zinc/90/78/40/448907840.db2.gz XPIXMOGRBZKRHF-INIZCTEOSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997724 449268660 /nfs/dbraw/zinc/26/86/60/449268660.db2.gz BZXNAZAWUXGTRR-KRWDZBQOSA-N 2 2 332.423 1.730 20 30 EDEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997724 449268664 /nfs/dbraw/zinc/26/86/64/449268664.db2.gz BZXNAZAWUXGTRR-KRWDZBQOSA-N 2 2 332.423 1.730 20 30 EDEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600737179 449525705 /nfs/dbraw/zinc/52/57/05/449525705.db2.gz UPGUIJSHTZWEKL-ZWKOTPCHSA-N 2 2 342.443 1.100 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000594446941 449523965 /nfs/dbraw/zinc/52/39/65/449523965.db2.gz ZQDAUQUAPIAKGX-SFHVURJKSA-N 2 2 344.459 1.621 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CN(c4ccncn4)C3)CC2)cc1 ZINC000601157779 449723036 /nfs/dbraw/zinc/72/30/36/449723036.db2.gz FFICZFBQWICPMA-UHFFFAOYSA-N 2 2 348.454 1.791 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)c(C#N)c(F)c3)C2)CC1 ZINC000597215520 449876127 /nfs/dbraw/zinc/87/61/27/449876127.db2.gz DOSNSFXYGLGLIX-ZDUSSCGKSA-N 2 2 348.397 1.735 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)c(C#N)c(F)c3)C2)CC1 ZINC000597215520 449876130 /nfs/dbraw/zinc/87/61/30/449876130.db2.gz DOSNSFXYGLGLIX-ZDUSSCGKSA-N 2 2 348.397 1.735 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471692 453332250 /nfs/dbraw/zinc/33/22/50/453332250.db2.gz CTBZWBXCUBSENJ-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471692 453332256 /nfs/dbraw/zinc/33/22/56/453332256.db2.gz CTBZWBXCUBSENJ-MSOLQXFVSA-N 2 2 337.508 1.986 20 30 EDEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176348695 526359902 /nfs/dbraw/zinc/35/99/02/526359902.db2.gz DHBSEEJROMEIJN-UHFFFAOYSA-N 2 2 336.505 1.698 20 30 EDEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176348695 526359906 /nfs/dbraw/zinc/35/99/06/526359906.db2.gz DHBSEEJROMEIJN-UHFFFAOYSA-N 2 2 336.505 1.698 20 30 EDEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(C(=O)OC)CC1 ZINC000114077613 526364606 /nfs/dbraw/zinc/36/46/06/526364606.db2.gz MZHSGQGGSZIVFH-UHFFFAOYSA-N 2 2 347.463 1.222 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnccc3C#N)CC2)CC1 ZINC000332520134 536339653 /nfs/dbraw/zinc/33/96/53/536339653.db2.gz OYWHUBAIAHDVPD-UHFFFAOYSA-N 2 2 327.432 1.242 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000730099074 578614452 /nfs/dbraw/zinc/61/44/52/578614452.db2.gz ZMAQFLHQNBJWGH-KRWDZBQOSA-N 2 2 326.444 1.786 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000730099074 578614453 /nfs/dbraw/zinc/61/44/53/578614453.db2.gz ZMAQFLHQNBJWGH-KRWDZBQOSA-N 2 2 326.444 1.786 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000730284562 578639744 /nfs/dbraw/zinc/63/97/44/578639744.db2.gz OENDHDFFDBFNNR-SFHVURJKSA-N 2 2 341.455 1.437 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000730284562 578639746 /nfs/dbraw/zinc/63/97/46/578639746.db2.gz OENDHDFFDBFNNR-SFHVURJKSA-N 2 2 341.455 1.437 20 30 EDEDLP C=C1CC[NH+](C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000754031718 579894378 /nfs/dbraw/zinc/89/43/78/579894378.db2.gz WVPOVCNAEZUKJL-IBGZPJMESA-N 2 2 345.487 1.830 20 30 EDEDLP C#CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000763949974 580108991 /nfs/dbraw/zinc/10/89/91/580108991.db2.gz NBDZIXCPBKSHEG-KRWDZBQOSA-N 2 2 325.456 1.989 20 30 EDEDLP C#CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000763949974 580108992 /nfs/dbraw/zinc/10/89/92/580108992.db2.gz NBDZIXCPBKSHEG-KRWDZBQOSA-N 2 2 325.456 1.989 20 30 EDEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)CC1 ZINC000771557715 580288829 /nfs/dbraw/zinc/28/88/29/580288829.db2.gz LOMVBJCVCHMDFO-HDICACEKSA-N 3 2 340.475 1.632 20 30 EDEDLP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895131177 591606448 /nfs/dbraw/zinc/60/64/48/591606448.db2.gz GTWSZSUCVUITIN-MRXNPFEDSA-N 2 2 339.480 1.339 20 30 EDEDLP C#Cc1cncc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817656918 593620461 /nfs/dbraw/zinc/62/04/61/593620461.db2.gz QWPBMNLVQDXPFJ-UHFFFAOYSA-N 2 2 340.471 1.695 20 30 EDEDLP C#Cc1cncc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817656918 593620462 /nfs/dbraw/zinc/62/04/62/593620462.db2.gz QWPBMNLVQDXPFJ-UHFFFAOYSA-N 2 2 340.471 1.695 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000852358519 596135793 /nfs/dbraw/zinc/13/57/93/596135793.db2.gz VFXLTZPOGOKBRE-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000852358519 596135794 /nfs/dbraw/zinc/13/57/94/596135794.db2.gz VFXLTZPOGOKBRE-UHFFFAOYSA-N 2 2 329.448 1.436 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862859799 596433145 /nfs/dbraw/zinc/43/31/45/596433145.db2.gz MZIVQCOJNGPUPC-HNNXBMFYSA-N 2 2 329.448 1.534 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862859799 596433148 /nfs/dbraw/zinc/43/31/48/596433148.db2.gz MZIVQCOJNGPUPC-HNNXBMFYSA-N 2 2 329.448 1.534 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880494520 597947166 /nfs/dbraw/zinc/94/71/66/597947166.db2.gz OYJDNLBXBYKONT-OALUTQOASA-N 2 2 325.412 1.024 20 30 EDEDLP N#Cc1cc(C[NH+]2CC=C[C@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880494520 597947167 /nfs/dbraw/zinc/94/71/67/597947167.db2.gz OYJDNLBXBYKONT-OALUTQOASA-N 2 2 325.412 1.024 20 30 EDEDLP N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675916 697488363 /nfs/dbraw/zinc/48/83/63/697488363.db2.gz WOPDTORAAXUADL-LJQANCHMSA-N 2 2 338.455 1.448 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767205 698838333 /nfs/dbraw/zinc/83/83/33/698838333.db2.gz RYNIAHZYSHFWDS-WMLDXEAASA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767205 698838335 /nfs/dbraw/zinc/83/83/35/698838335.db2.gz RYNIAHZYSHFWDS-WMLDXEAASA-N 2 2 337.427 1.851 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850114 700943947 /nfs/dbraw/zinc/94/39/47/700943947.db2.gz BILWJNULDQJEKD-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850114 700943948 /nfs/dbraw/zinc/94/39/48/700943948.db2.gz BILWJNULDQJEKD-JKSUJKDBSA-N 2 2 328.460 1.686 20 30 EDEDLP C=CC[NH+]1CC(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC000941424043 701523982 /nfs/dbraw/zinc/52/39/82/701523982.db2.gz IREIXSFUXUMVOB-UHFFFAOYSA-N 2 2 348.516 1.438 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996093079 702505592 /nfs/dbraw/zinc/50/55/92/702505592.db2.gz SARPGNHRSATWCE-QZTJIDSGSA-N 2 2 349.519 1.890 20 30 EDEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996093079 702505595 /nfs/dbraw/zinc/50/55/95/702505595.db2.gz SARPGNHRSATWCE-QZTJIDSGSA-N 2 2 349.519 1.890 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000996456983 702801478 /nfs/dbraw/zinc/80/14/78/702801478.db2.gz MMDYKCYMIZVWPA-MRXNPFEDSA-N 2 2 337.427 1.851 20 30 EDEDLP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997183168 703468660 /nfs/dbraw/zinc/46/86/60/703468660.db2.gz DGTDJVRDUKLFIF-WBVHZDCISA-N 2 2 328.460 1.686 20 30 EDEDLP N#Cc1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)ccc1F ZINC001004257936 704085995 /nfs/dbraw/zinc/08/59/95/704085995.db2.gz NOKCNWAFUSPLRG-UHFFFAOYSA-N 2 2 341.390 1.675 20 30 EDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999470686 706979309 /nfs/dbraw/zinc/97/93/09/706979309.db2.gz UUHUDTQRYOKIHJ-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001033418334 707802854 /nfs/dbraw/zinc/80/28/54/707802854.db2.gz BTAXBCJYPFPUNX-LPHOPBHVSA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001033418334 707802855 /nfs/dbraw/zinc/80/28/55/707802855.db2.gz BTAXBCJYPFPUNX-LPHOPBHVSA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001033418334 707802858 /nfs/dbraw/zinc/80/28/58/707802858.db2.gz BTAXBCJYPFPUNX-LPHOPBHVSA-N 2 2 340.471 1.933 20 30 EDEDLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001033418334 707802860 /nfs/dbraw/zinc/80/28/60/707802860.db2.gz BTAXBCJYPFPUNX-LPHOPBHVSA-N 2 2 340.471 1.933 20 30 EDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001683752 708181261 /nfs/dbraw/zinc/18/12/61/708181261.db2.gz GGUYELANIQUXFK-LJQANCHMSA-N 2 2 349.519 1.892 20 30 EDEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001683752 708181263 /nfs/dbraw/zinc/18/12/63/708181263.db2.gz GGUYELANIQUXFK-LJQANCHMSA-N 2 2 349.519 1.892 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034017416 709234667 /nfs/dbraw/zinc/23/46/67/709234667.db2.gz YTRQCUPKDFQEMT-KRWDZBQOSA-N 2 2 337.427 1.827 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034017416 709234668 /nfs/dbraw/zinc/23/46/68/709234668.db2.gz YTRQCUPKDFQEMT-KRWDZBQOSA-N 2 2 337.427 1.827 20 30 EDEDLP N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034800001 711138801 /nfs/dbraw/zinc/13/88/01/711138801.db2.gz VTXHDQVSSPJTMJ-IYARVYRRSA-N 2 2 337.427 1.972 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000105896644 529760695 /nfs/dbraw/zinc/76/06/95/529760695.db2.gz RMKCICGUFORJCW-QAPCUYQASA-N 2 2 329.448 1.891 20 30 EDEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000105896644 529760696 /nfs/dbraw/zinc/76/06/96/529760696.db2.gz RMKCICGUFORJCW-QAPCUYQASA-N 2 2 329.448 1.891 20 30 EDEDLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130357612 529899111 /nfs/dbraw/zinc/89/91/11/529899111.db2.gz CKGROPCLEDRYQC-UHFFFAOYSA-N 2 2 332.429 1.551 20 30 EDEDLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130357612 529899112 /nfs/dbraw/zinc/89/91/12/529899112.db2.gz CKGROPCLEDRYQC-UHFFFAOYSA-N 2 2 332.429 1.551 20 30 EDEDLP CN(CC[NH+]1CCCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329303788 539426306 /nfs/dbraw/zinc/42/63/06/539426306.db2.gz XPZSNLCYWCJKLN-UHFFFAOYSA-N 2 2 347.463 1.360 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)o3)CC2)CC1 ZINC000093142509 138292034 /nfs/dbraw/zinc/29/20/34/138292034.db2.gz LZTUAMNERCLMQW-UHFFFAOYSA-N 2 2 330.432 1.527 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)CC1 ZINC000374322208 250259698 /nfs/dbraw/zinc/25/96/98/250259698.db2.gz VSUGYNKGMHWRMR-GOSISDBHSA-N 2 2 329.419 1.644 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129564314 533504244 /nfs/dbraw/zinc/50/42/44/533504244.db2.gz JCAULBGQMLZDOC-KRWDZBQOSA-N 2 2 345.443 1.600 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129564314 533504248 /nfs/dbraw/zinc/50/42/48/533504248.db2.gz JCAULBGQMLZDOC-KRWDZBQOSA-N 2 2 345.443 1.600 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369444187 155037598 /nfs/dbraw/zinc/03/75/98/155037598.db2.gz AGPLXDYZXCLTQB-QFBILLFUSA-N 2 2 328.460 1.567 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369444187 155037599 /nfs/dbraw/zinc/03/75/99/155037599.db2.gz AGPLXDYZXCLTQB-QFBILLFUSA-N 2 2 328.460 1.567 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000372421350 156381082 /nfs/dbraw/zinc/38/10/82/156381082.db2.gz KMENETZUAQTWSE-CYBMUJFWSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(F)c3C#N)C2)CC1 ZINC000372421350 156381084 /nfs/dbraw/zinc/38/10/84/156381084.db2.gz KMENETZUAQTWSE-CYBMUJFWSA-N 2 2 330.407 1.596 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000519819183 270015535 /nfs/dbraw/zinc/01/55/35/270015535.db2.gz KQPVORDDYVODRY-IBGZPJMESA-N 3 2 328.460 1.491 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2ccc(C#N)cn2)([NH+]2CCCCC2)CC1 ZINC000524670007 267331781 /nfs/dbraw/zinc/33/17/81/267331781.db2.gz OVKJOESECRJFCA-UHFFFAOYSA-N 2 2 341.459 1.633 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961919 279372947 /nfs/dbraw/zinc/37/29/47/279372947.db2.gz BUNOVJFXMXNKOG-ROUUACIJSA-N 2 2 341.459 1.846 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961919 279372948 /nfs/dbraw/zinc/37/29/48/279372948.db2.gz BUNOVJFXMXNKOG-ROUUACIJSA-N 2 2 341.459 1.846 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000057153592 441093892 /nfs/dbraw/zinc/09/38/92/441093892.db2.gz JCXFSQVSWWLQLT-UHFFFAOYSA-N 2 2 326.444 1.643 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000089926542 441597026 /nfs/dbraw/zinc/59/70/26/441597026.db2.gz XASVVYLODQBTSB-UHFFFAOYSA-N 2 2 338.415 1.443 20 30 EDEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159781269 441838518 /nfs/dbraw/zinc/83/85/18/441838518.db2.gz MCIXTCKWALJKGA-OAGGEKHMSA-N 2 2 340.431 1.642 20 30 EDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160705846 441911605 /nfs/dbraw/zinc/91/16/05/441911605.db2.gz JPTFPHBODKXCFI-UHFFFAOYSA-N 2 2 334.342 1.890 20 30 EDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160705846 441911609 /nfs/dbraw/zinc/91/16/09/441911609.db2.gz JPTFPHBODKXCFI-UHFFFAOYSA-N 2 2 334.342 1.890 20 30 EDEDLP CN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(C#N)CCCCC1 ZINC000161351574 441990044 /nfs/dbraw/zinc/99/00/44/441990044.db2.gz DTKSZNDGMIXYOX-UHFFFAOYSA-N 2 2 341.459 1.888 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000192649831 442672254 /nfs/dbraw/zinc/67/22/54/442672254.db2.gz NYTFGVPDBFMMEH-IAGOWNOFSA-N 2 2 328.464 1.661 20 30 EDEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000261965339 443176571 /nfs/dbraw/zinc/17/65/71/443176571.db2.gz LJHGMXLIBJUWAB-KGLIPLIRSA-N 2 2 345.451 1.530 20 30 EDEDLP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263268509 443227802 /nfs/dbraw/zinc/22/78/02/443227802.db2.gz VZNQHHYKFCLWKC-INIZCTEOSA-N 2 2 347.463 1.156 20 30 EDEDLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264133449 443251775 /nfs/dbraw/zinc/25/17/75/443251775.db2.gz YUPOWNGPTUOMKR-UHFFFAOYSA-N 2 2 334.342 1.890 20 30 EDEDLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264133449 443251778 /nfs/dbraw/zinc/25/17/78/443251778.db2.gz YUPOWNGPTUOMKR-UHFFFAOYSA-N 2 2 334.342 1.890 20 30 EDEDLP COc1ccc(CNC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000264327322 443260089 /nfs/dbraw/zinc/26/00/89/443260089.db2.gz ZCACAFQHPWLSKW-UHFFFAOYSA-N 2 2 343.431 1.841 20 30 EDEDLP COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267037327 443320311 /nfs/dbraw/zinc/32/03/11/443320311.db2.gz XUBLCFFKWVOUTJ-UHFFFAOYSA-N 2 2 331.372 1.965 20 30 EDEDLP C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000276348165 443689637 /nfs/dbraw/zinc/68/96/37/443689637.db2.gz DAGBNTCKSJVDEV-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C=CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000276348165 443689643 /nfs/dbraw/zinc/68/96/43/443689643.db2.gz DAGBNTCKSJVDEV-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C[C@@H](CC[NH+](C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000299329916 444019900 /nfs/dbraw/zinc/01/99/00/444019900.db2.gz BNGAFQIOMQJBBB-ZDUSSCGKSA-N 2 2 341.459 1.986 20 30 EDEDLP NC(=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000289439425 444144364 /nfs/dbraw/zinc/14/43/64/444144364.db2.gz TUAISZBONFCUMM-DLBZAZTESA-N 2 2 333.432 1.745 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000581663297 322205239 /nfs/dbraw/zinc/20/52/39/322205239.db2.gz MQUZFXUOKYERHV-OAHLLOKOSA-N 2 2 326.404 1.406 20 30 EDEDLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000581663297 322205241 /nfs/dbraw/zinc/20/52/41/322205241.db2.gz MQUZFXUOKYERHV-OAHLLOKOSA-N 2 2 326.404 1.406 20 30 EDEDLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1C#N ZINC000333971855 444732429 /nfs/dbraw/zinc/73/24/29/444732429.db2.gz WMGFEHDFJKPURS-UHFFFAOYSA-N 2 2 341.459 1.550 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000329951219 444783210 /nfs/dbraw/zinc/78/32/10/444783210.db2.gz IDKZHUXVBKYXPF-OAGGEKHMSA-N 2 2 346.479 1.249 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000329951219 444783214 /nfs/dbraw/zinc/78/32/14/444783214.db2.gz IDKZHUXVBKYXPF-OAGGEKHMSA-N 2 2 346.479 1.249 20 30 EDEDLP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000330741835 445121765 /nfs/dbraw/zinc/12/17/65/445121765.db2.gz PVFYTIJSOLKOHH-MRXNPFEDSA-N 2 2 325.501 1.000 20 30 EDEDLP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000330741835 445121770 /nfs/dbraw/zinc/12/17/70/445121770.db2.gz PVFYTIJSOLKOHH-MRXNPFEDSA-N 2 2 325.501 1.000 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362638581 445474223 /nfs/dbraw/zinc/47/42/23/445474223.db2.gz IIORSALXDKLLKX-KRWDZBQOSA-N 2 2 334.508 1.287 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000360977022 445741324 /nfs/dbraw/zinc/74/13/24/445741324.db2.gz IVTZZHQFBBQRJQ-RBUKOAKNSA-N 2 2 328.460 1.989 20 30 EDEDLP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000360977022 445741329 /nfs/dbraw/zinc/74/13/29/445741329.db2.gz IVTZZHQFBBQRJQ-RBUKOAKNSA-N 2 2 328.460 1.989 20 30 EDEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226724 446023192 /nfs/dbraw/zinc/02/31/92/446023192.db2.gz XPCVOFJVAOTLFL-QAPCUYQASA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226724 446023195 /nfs/dbraw/zinc/02/31/95/446023195.db2.gz XPCVOFJVAOTLFL-QAPCUYQASA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226724 446023198 /nfs/dbraw/zinc/02/31/98/446023198.db2.gz XPCVOFJVAOTLFL-QAPCUYQASA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000354226724 446023200 /nfs/dbraw/zinc/02/32/00/446023200.db2.gz XPCVOFJVAOTLFL-QAPCUYQASA-N 2 2 328.460 1.979 20 30 EDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000369397309 446115395 /nfs/dbraw/zinc/11/53/95/446115395.db2.gz FPYNJTUTELULJF-HKUYNNGSSA-N 2 2 349.523 1.141 20 30 EDEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000369397309 446115399 /nfs/dbraw/zinc/11/53/99/446115399.db2.gz FPYNJTUTELULJF-HKUYNNGSSA-N 2 2 349.523 1.141 20 30 EDEDLP C[C@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377233879 447011168 /nfs/dbraw/zinc/01/11/68/447011168.db2.gz VOUXFILPOAGNDK-HNNXBMFYSA-N 2 2 333.480 1.490 20 30 EDEDLP C[C@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377233879 447011174 /nfs/dbraw/zinc/01/11/74/447011174.db2.gz VOUXFILPOAGNDK-HNNXBMFYSA-N 2 2 333.480 1.490 20 30 EDEDLP C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377233880 447011942 /nfs/dbraw/zinc/01/19/42/447011942.db2.gz VOUXFILPOAGNDK-OAHLLOKOSA-N 2 2 333.480 1.490 20 30 EDEDLP C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377233880 447011946 /nfs/dbraw/zinc/01/19/46/447011946.db2.gz VOUXFILPOAGNDK-OAHLLOKOSA-N 2 2 333.480 1.490 20 30 EDEDLP Cc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(C#N)c[nH+]1 ZINC000425202968 447059562 /nfs/dbraw/zinc/05/95/62/447059562.db2.gz DNZSEOHANLAISG-UHFFFAOYSA-N 2 2 337.431 1.098 20 30 EDEDLP C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459254314 447622235 /nfs/dbraw/zinc/62/22/35/447622235.db2.gz FFGUEFVPUHFUCL-OAHLLOKOSA-N 2 2 335.496 1.736 20 30 EDEDLP C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459254314 447622237 /nfs/dbraw/zinc/62/22/37/447622237.db2.gz FFGUEFVPUHFUCL-OAHLLOKOSA-N 2 2 335.496 1.736 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000563012559 448281400 /nfs/dbraw/zinc/28/14/00/448281400.db2.gz UXYUWJHNRZZDBV-GJZGRUSLSA-N 2 2 326.400 1.363 20 30 EDEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000563012559 448281404 /nfs/dbraw/zinc/28/14/04/448281404.db2.gz UXYUWJHNRZZDBV-GJZGRUSLSA-N 2 2 326.400 1.363 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181133 448725321 /nfs/dbraw/zinc/72/53/21/448725321.db2.gz DCVXNKYRFKXOKQ-DOTOQJQBSA-N 2 2 336.480 1.226 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181133 448725323 /nfs/dbraw/zinc/72/53/23/448725323.db2.gz DCVXNKYRFKXOKQ-DOTOQJQBSA-N 2 2 336.480 1.226 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000580184579 448941150 /nfs/dbraw/zinc/94/11/50/448941150.db2.gz IMRPGZIPYMDRNK-GOSISDBHSA-N 2 2 342.443 1.931 20 30 EDEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602002980 449270792 /nfs/dbraw/zinc/27/07/92/449270792.db2.gz CMESJYGTPSEOJL-MRXNPFEDSA-N 2 2 332.423 1.193 20 30 EDEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000594441186 449520012 /nfs/dbraw/zinc/52/00/12/449520012.db2.gz OODBTBNKHQBZPU-ROUUACIJSA-N 2 2 344.459 1.587 20 30 EDEDLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c[nH+]2)CCO1 ZINC000594441163 449520144 /nfs/dbraw/zinc/52/01/44/449520144.db2.gz NYVQMYHGLGGPDK-GOEBONIOSA-N 2 2 345.447 1.334 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(NCC[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000599020099 449700029 /nfs/dbraw/zinc/70/00/29/449700029.db2.gz XAKUVIMQALTVIM-IBGZPJMESA-N 2 2 328.460 1.179 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(NCC[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000599020099 449700036 /nfs/dbraw/zinc/70/00/36/449700036.db2.gz XAKUVIMQALTVIM-IBGZPJMESA-N 2 2 328.460 1.179 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CC[C@H](O)C3)CC2)cc1 ZINC000599020099 449700042 /nfs/dbraw/zinc/70/00/42/449700042.db2.gz XAKUVIMQALTVIM-IBGZPJMESA-N 2 2 328.460 1.179 20 30 EDEDLP C[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)N1CC#N ZINC000602852060 449859257 /nfs/dbraw/zinc/85/92/57/449859257.db2.gz ZTSVRDZDKMMDIP-ROUUACIJSA-N 2 2 342.487 1.937 20 30 EDEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602862696 449873663 /nfs/dbraw/zinc/87/36/63/449873663.db2.gz LTMMMJWERHHTRV-INIZCTEOSA-N 2 2 328.460 1.967 20 30 EDEDLP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C1CC1 ZINC000599629384 450114979 /nfs/dbraw/zinc/11/49/79/450114979.db2.gz FMWUGRUEJXXDLU-GOSISDBHSA-N 2 2 329.444 1.609 20 30 EDEDLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C1CC1 ZINC000599629384 450114982 /nfs/dbraw/zinc/11/49/82/450114982.db2.gz FMWUGRUEJXXDLU-GOSISDBHSA-N 2 2 329.444 1.609 20 30 EDEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634572 450117770 /nfs/dbraw/zinc/11/77/70/450117770.db2.gz VTGYUMBAPLXGJJ-SFHVURJKSA-N 2 2 331.460 1.855 20 30 EDEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634572 450117773 /nfs/dbraw/zinc/11/77/73/450117773.db2.gz VTGYUMBAPLXGJJ-SFHVURJKSA-N 2 2 331.460 1.855 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@](C)(C#N)C3)CC2)CC1 ZINC000595489475 450180709 /nfs/dbraw/zinc/18/07/09/450180709.db2.gz SNHLVGSQTWPIGE-GOSISDBHSA-N 2 2 333.480 1.490 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000662694910 453415583 /nfs/dbraw/zinc/41/55/83/453415583.db2.gz DGEYBTFQJPXRSQ-IAGOWNOFSA-N 2 2 339.505 1.009 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901068 527928361 /nfs/dbraw/zinc/92/83/61/527928361.db2.gz DWPXSZNBKHXWFI-HKUYNNGSSA-N 2 2 349.523 1.143 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901068 527928366 /nfs/dbraw/zinc/92/83/66/527928366.db2.gz DWPXSZNBKHXWFI-HKUYNNGSSA-N 2 2 349.523 1.143 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000742058879 579433750 /nfs/dbraw/zinc/43/37/50/579433750.db2.gz BIDSPLZHYRFTIQ-SFHVURJKSA-N 2 2 335.492 1.291 20 30 EDEDLP CCOCCC[N@@H+]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)[C@H](C)C1 ZINC000753933133 579891464 /nfs/dbraw/zinc/89/14/64/579891464.db2.gz BMBCYKXHAVSQSC-DJIMGWMZSA-N 2 2 335.496 1.971 20 30 EDEDLP CCOCCC[N@H+]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)[C@H](C)C1 ZINC000753933133 579891465 /nfs/dbraw/zinc/89/14/65/579891465.db2.gz BMBCYKXHAVSQSC-DJIMGWMZSA-N 2 2 335.496 1.971 20 30 EDEDLP C#Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000756124155 579944006 /nfs/dbraw/zinc/94/40/06/579944006.db2.gz IJOYRUYINUXRCO-DFNIBXOVSA-N 2 2 338.455 1.446 20 30 EDEDLP C#Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000756124155 579944007 /nfs/dbraw/zinc/94/40/07/579944007.db2.gz IJOYRUYINUXRCO-DFNIBXOVSA-N 2 2 338.455 1.446 20 30 EDEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000756624409 579953835 /nfs/dbraw/zinc/95/38/35/579953835.db2.gz GYXZEAPURGYDPA-HNNXBMFYSA-N 2 2 325.416 1.839 20 30 EDEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000756624409 579953836 /nfs/dbraw/zinc/95/38/36/579953836.db2.gz GYXZEAPURGYDPA-HNNXBMFYSA-N 2 2 325.416 1.839 20 30 EDEDLP C#CC[N@@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000763959311 580109178 /nfs/dbraw/zinc/10/91/78/580109178.db2.gz DKBWIKLJAGSTRS-IBGZPJMESA-N 2 2 343.471 1.276 20 30 EDEDLP C#CC[N@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000763959311 580109179 /nfs/dbraw/zinc/10/91/79/580109179.db2.gz DKBWIKLJAGSTRS-IBGZPJMESA-N 2 2 343.471 1.276 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(OC)c1 ZINC000903871805 592354356 /nfs/dbraw/zinc/35/43/56/592354356.db2.gz VUMFMSVHDOLOLM-YLJYHZDGSA-N 2 2 346.471 1.991 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]23CC[NH2+]C3)c(OC)c1 ZINC000903871805 592354359 /nfs/dbraw/zinc/35/43/59/592354359.db2.gz VUMFMSVHDOLOLM-YLJYHZDGSA-N 2 2 346.471 1.991 20 30 EDEDLP C=CCCC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819273008 593747873 /nfs/dbraw/zinc/74/78/73/593747873.db2.gz NKXYFIYPSLWZBQ-GOSISDBHSA-N 2 2 333.476 1.734 20 30 EDEDLP C#CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000830311621 594373792 /nfs/dbraw/zinc/37/37/92/594373792.db2.gz ROSAZGYSSFNUNV-UHFFFAOYSA-N 2 2 339.483 1.984 20 30 EDEDLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000858323205 595764576 /nfs/dbraw/zinc/76/45/76/595764576.db2.gz RJKYGHFBUAIGOY-CQSZACIVSA-N 2 2 330.432 1.521 20 30 EDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852098096 596043140 /nfs/dbraw/zinc/04/31/40/596043140.db2.gz FLAIUTLOQNRQCK-IBGZPJMESA-N 2 2 329.444 1.849 20 30 EDEDLP CCO[C@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000863456165 596590426 /nfs/dbraw/zinc/59/04/26/596590426.db2.gz ITOFSAOYKJLGRZ-GOSISDBHSA-N 2 2 347.459 1.971 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876746389 597318971 /nfs/dbraw/zinc/31/89/71/597318971.db2.gz LLBCWRVGAGJYFK-QGZVFWFLSA-N 2 2 335.411 1.874 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000883131181 597661618 /nfs/dbraw/zinc/66/16/18/597661618.db2.gz LWNZAYBANVPTRF-UHFFFAOYSA-N 2 2 333.436 1.868 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000883131181 597661620 /nfs/dbraw/zinc/66/16/20/597661620.db2.gz LWNZAYBANVPTRF-UHFFFAOYSA-N 2 2 333.436 1.868 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000884010829 597967970 /nfs/dbraw/zinc/96/79/70/597967970.db2.gz MPIKKFDHLALHHM-SJORKVTESA-N 2 2 344.459 1.813 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000884010829 597967971 /nfs/dbraw/zinc/96/79/71/597967971.db2.gz MPIKKFDHLALHHM-SJORKVTESA-N 2 2 344.459 1.813 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335882 695991834 /nfs/dbraw/zinc/99/18/34/695991834.db2.gz KTXITRDIEZGZGI-WBVHZDCISA-N 2 2 328.460 1.754 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000993335882 695991837 /nfs/dbraw/zinc/99/18/37/695991837.db2.gz KTXITRDIEZGZGI-WBVHZDCISA-N 2 2 328.460 1.754 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031775930 699149014 /nfs/dbraw/zinc/14/90/14/699149014.db2.gz DAXUXIXHIINRAI-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031775930 699149015 /nfs/dbraw/zinc/14/90/15/699149015.db2.gz DAXUXIXHIINRAI-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000939622468 699759340 /nfs/dbraw/zinc/75/93/40/699759340.db2.gz LHOXRCBJWHXHLM-SCLBCKFNSA-N 2 2 337.427 1.769 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846647 700941726 /nfs/dbraw/zinc/94/17/26/700941726.db2.gz FBSKHFZWOWYYQZ-DOTOQJQBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846647 700941727 /nfs/dbraw/zinc/94/17/27/700941727.db2.gz FBSKHFZWOWYYQZ-DOTOQJQBSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892769 700967744 /nfs/dbraw/zinc/96/77/44/700967744.db2.gz JXOLLVDNMCVVCH-QGZVFWFLSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000940892769 700967745 /nfs/dbraw/zinc/96/77/45/700967745.db2.gz JXOLLVDNMCVVCH-QGZVFWFLSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000941160154 701224233 /nfs/dbraw/zinc/22/42/33/701224233.db2.gz FDEAFNNLYGPJCS-QGZVFWFLSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C(C)(C)C1 ZINC000941160154 701224235 /nfs/dbraw/zinc/22/42/35/701224235.db2.gz FDEAFNNLYGPJCS-QGZVFWFLSA-N 2 2 337.427 1.731 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031977951 701976891 /nfs/dbraw/zinc/97/68/91/701976891.db2.gz KXPBPLULDHZVLR-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031977951 701976896 /nfs/dbraw/zinc/97/68/96/701976896.db2.gz KXPBPLULDHZVLR-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001032182924 702152386 /nfs/dbraw/zinc/15/23/86/702152386.db2.gz WBSSIUOQIGKRFN-OAHLLOKOSA-N 2 2 330.407 1.197 20 30 EDEDLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001032182924 702152389 /nfs/dbraw/zinc/15/23/89/702152389.db2.gz WBSSIUOQIGKRFN-OAHLLOKOSA-N 2 2 330.407 1.197 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995246633 702939917 /nfs/dbraw/zinc/93/99/17/702939917.db2.gz YAXSYZGSURZPTC-MSOLQXFVSA-N 2 2 337.427 1.829 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653221 703976361 /nfs/dbraw/zinc/97/63/61/703976361.db2.gz JCWWMIFOQBXISV-AWEZNQCLSA-N 2 2 332.448 1.590 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085362 704148954 /nfs/dbraw/zinc/14/89/54/704148954.db2.gz SWROUYJNQISSBF-CQSZACIVSA-N 2 2 339.871 1.344 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085362 704148955 /nfs/dbraw/zinc/14/89/55/704148955.db2.gz SWROUYJNQISSBF-CQSZACIVSA-N 2 2 339.871 1.344 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000999393750 706888276 /nfs/dbraw/zinc/88/82/76/706888276.db2.gz YDCJHNBNRGDLJE-HOTGVXAUSA-N 2 2 346.500 1.630 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000999393750 706888278 /nfs/dbraw/zinc/88/82/78/706888278.db2.gz YDCJHNBNRGDLJE-HOTGVXAUSA-N 2 2 346.500 1.630 20 30 EDEDLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000999468722 706977744 /nfs/dbraw/zinc/97/77/44/706977744.db2.gz IFGFGXABZSARMO-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033265690 707289994 /nfs/dbraw/zinc/28/99/94/707289994.db2.gz INVWTRZUZJQHNX-IBGZPJMESA-N 2 2 336.439 1.776 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033265690 707289995 /nfs/dbraw/zinc/28/99/95/707289995.db2.gz INVWTRZUZJQHNX-IBGZPJMESA-N 2 2 336.439 1.776 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032827191 709291378 /nfs/dbraw/zinc/29/13/78/709291378.db2.gz UWPUGXMVJCGNKR-FHWLQOOXSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001032827191 709291381 /nfs/dbraw/zinc/29/13/81/709291381.db2.gz UWPUGXMVJCGNKR-FHWLQOOXSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032827191 709291384 /nfs/dbraw/zinc/29/13/84/709291384.db2.gz UWPUGXMVJCGNKR-FHWLQOOXSA-N 2 2 347.503 1.216 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032827191 709291388 /nfs/dbraw/zinc/29/13/88/709291388.db2.gz UWPUGXMVJCGNKR-FHWLQOOXSA-N 2 2 347.503 1.216 20 30 EDEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001034890618 711346489 /nfs/dbraw/zinc/34/64/89/711346489.db2.gz FHJHYYHNWZUNSM-CJNGLKHVSA-N 2 2 348.472 1.031 20 30 EDEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001034890618 711346493 /nfs/dbraw/zinc/34/64/93/711346493.db2.gz FHJHYYHNWZUNSM-CJNGLKHVSA-N 2 2 348.472 1.031 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649363 712164752 /nfs/dbraw/zinc/16/47/52/712164752.db2.gz XCCPXEZYGBFPJM-KURKYZTESA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649363 712164754 /nfs/dbraw/zinc/16/47/54/712164754.db2.gz XCCPXEZYGBFPJM-KURKYZTESA-N 2 2 340.471 1.639 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000123675902 237141058 /nfs/dbraw/zinc/14/10/58/237141058.db2.gz CLCYXDCHXVACLW-RDTXWAMCSA-N 2 2 329.448 1.483 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000123675902 237141069 /nfs/dbraw/zinc/14/10/69/237141069.db2.gz CLCYXDCHXVACLW-RDTXWAMCSA-N 2 2 329.448 1.483 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000566130051 306399424 /nfs/dbraw/zinc/39/94/24/306399424.db2.gz LKRSGPCLSHQEMF-CYBMUJFWSA-N 2 2 330.413 1.202 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000566130051 306399425 /nfs/dbraw/zinc/39/94/25/306399425.db2.gz LKRSGPCLSHQEMF-CYBMUJFWSA-N 2 2 330.413 1.202 20 30 EDEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803311 203050614 /nfs/dbraw/zinc/05/06/14/203050614.db2.gz WPVDCKNYJYFINE-QGZVFWFLSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803311 203050619 /nfs/dbraw/zinc/05/06/19/203050619.db2.gz WPVDCKNYJYFINE-QGZVFWFLSA-N 2 2 329.444 1.981 20 30 EDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1sccc1C#N ZINC000129787890 205212441 /nfs/dbraw/zinc/21/24/41/205212441.db2.gz WYWREVKVUVTLCP-UHFFFAOYSA-N 2 2 335.477 1.128 20 30 EDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1sccc1C#N ZINC000129787890 205212443 /nfs/dbraw/zinc/21/24/43/205212443.db2.gz WYWREVKVUVTLCP-UHFFFAOYSA-N 2 2 335.477 1.128 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246281790 249307507 /nfs/dbraw/zinc/30/75/07/249307507.db2.gz AYUUNHKFFABSFP-SJLPKXTDSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246281790 249307510 /nfs/dbraw/zinc/30/75/10/249307510.db2.gz AYUUNHKFFABSFP-SJLPKXTDSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281790 249307513 /nfs/dbraw/zinc/30/75/13/249307513.db2.gz AYUUNHKFFABSFP-SJLPKXTDSA-N 2 2 343.475 1.591 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246281790 249307517 /nfs/dbraw/zinc/30/75/17/249307517.db2.gz AYUUNHKFFABSFP-SJLPKXTDSA-N 2 2 343.475 1.591 20 30 EDEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356412420 250125379 /nfs/dbraw/zinc/12/53/79/250125379.db2.gz CRLOCPPSZRBCRS-CHWSQXEVSA-N 2 2 347.463 1.485 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424183143 252156270 /nfs/dbraw/zinc/15/62/70/252156270.db2.gz IKMDNLJICAOYFD-ZIAGYGMSSA-N 2 2 331.420 1.148 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372181134 156259643 /nfs/dbraw/zinc/25/96/43/156259643.db2.gz RGPYEXISLLKCPZ-INIZCTEOSA-N 2 2 326.444 1.765 20 30 EDEDLP Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372181134 156259645 /nfs/dbraw/zinc/25/96/45/156259645.db2.gz RGPYEXISLLKCPZ-INIZCTEOSA-N 2 2 326.444 1.765 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000418805004 268219467 /nfs/dbraw/zinc/21/94/67/268219467.db2.gz ZQVGKTGKAXLXIE-ZWKOTPCHSA-N 2 2 341.459 1.513 20 30 EDEDLP COc1c(C)c[nH+]c(CN(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000081531512 441282329 /nfs/dbraw/zinc/28/23/29/441282329.db2.gz OKRFJMXVJPSOJX-UHFFFAOYSA-N 2 2 332.448 1.755 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000089926718 441596690 /nfs/dbraw/zinc/59/66/90/441596690.db2.gz ZUJSLSFLBVWZAQ-UHFFFAOYSA-N 2 2 349.398 1.664 20 30 EDEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718343 441956748 /nfs/dbraw/zinc/95/67/48/441956748.db2.gz WSHLZTCNUCXVMF-MRXNPFEDSA-N 2 2 343.475 1.455 20 30 EDEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129135302 442302906 /nfs/dbraw/zinc/30/29/06/442302906.db2.gz BEOWEWQGPAFRGI-AWEZNQCLSA-N 2 2 348.472 1.602 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134880889 442530489 /nfs/dbraw/zinc/53/04/89/442530489.db2.gz BUSIIFAFCFFTHK-JFIYKMOQSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134880889 442530495 /nfs/dbraw/zinc/53/04/95/442530495.db2.gz BUSIIFAFCFFTHK-JFIYKMOQSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134880889 442530501 /nfs/dbraw/zinc/53/05/01/442530501.db2.gz BUSIIFAFCFFTHK-JFIYKMOQSA-N 2 2 332.492 1.943 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134880889 442530505 /nfs/dbraw/zinc/53/05/05/442530505.db2.gz BUSIIFAFCFFTHK-JFIYKMOQSA-N 2 2 332.492 1.943 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000184612519 443048947 /nfs/dbraw/zinc/04/89/47/443048947.db2.gz GMYDLYKFMGRFRO-UHFFFAOYSA-N 2 2 343.475 1.559 20 30 EDEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N[C@@H]1CCCn2nc(C)nc21 ZINC000261738337 443166812 /nfs/dbraw/zinc/16/68/12/443166812.db2.gz MEFHPBCAEOJREL-MRXNPFEDSA-N 2 2 341.463 1.923 20 30 EDEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262506667 443198900 /nfs/dbraw/zinc/19/89/00/443198900.db2.gz LKVHQNBKZMJAPF-HNNXBMFYSA-N 2 2 332.448 1.525 20 30 EDEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262506667 443198904 /nfs/dbraw/zinc/19/89/04/443198904.db2.gz LKVHQNBKZMJAPF-HNNXBMFYSA-N 2 2 332.448 1.525 20 30 EDEDLP Cc1ccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000264120812 443249958 /nfs/dbraw/zinc/24/99/58/443249958.db2.gz UUAIGCJDPOKJRQ-GOSISDBHSA-N 3 2 347.507 1.224 20 30 EDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332262868 444507383 /nfs/dbraw/zinc/50/73/83/444507383.db2.gz FFUQWRHGUNVOFI-ZWKOTPCHSA-N 2 2 349.523 1.095 20 30 EDEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332262868 444507384 /nfs/dbraw/zinc/50/73/84/444507384.db2.gz FFUQWRHGUNVOFI-ZWKOTPCHSA-N 2 2 349.523 1.095 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)CC1 ZINC000329913292 444766085 /nfs/dbraw/zinc/76/60/85/444766085.db2.gz OQIDXCYBWMQEEX-WMLDXEAASA-N 2 2 325.453 1.307 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)CC1 ZINC000329913292 444766090 /nfs/dbraw/zinc/76/60/90/444766090.db2.gz OQIDXCYBWMQEEX-WMLDXEAASA-N 2 2 325.453 1.307 20 30 EDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329967116 444792373 /nfs/dbraw/zinc/79/23/73/444792373.db2.gz SHETVVXZKJBCCE-CVEARBPZSA-N 2 2 348.495 1.497 20 30 EDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329967116 444792378 /nfs/dbraw/zinc/79/23/78/444792378.db2.gz SHETVVXZKJBCCE-CVEARBPZSA-N 2 2 348.495 1.497 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000337176094 444974069 /nfs/dbraw/zinc/97/40/69/444974069.db2.gz INPNLSSQUPDZRC-SFHVURJKSA-N 2 2 334.508 1.264 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371266961 446727173 /nfs/dbraw/zinc/72/71/73/446727173.db2.gz SZONQETWOMPTPF-PKOBYXMFSA-N 2 2 349.523 1.000 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371266961 446727174 /nfs/dbraw/zinc/72/71/74/446727174.db2.gz SZONQETWOMPTPF-PKOBYXMFSA-N 2 2 349.523 1.000 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983475 447191175 /nfs/dbraw/zinc/19/11/75/447191175.db2.gz DCYOIMZKUTYRFL-UWVAXJGDSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375983475 447191181 /nfs/dbraw/zinc/19/11/81/447191181.db2.gz DCYOIMZKUTYRFL-UWVAXJGDSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375983475 447191188 /nfs/dbraw/zinc/19/11/88/447191188.db2.gz DCYOIMZKUTYRFL-UWVAXJGDSA-N 2 2 342.487 1.956 20 30 EDEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375983475 447191197 /nfs/dbraw/zinc/19/11/97/447191197.db2.gz DCYOIMZKUTYRFL-UWVAXJGDSA-N 2 2 342.487 1.956 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000491524025 448054026 /nfs/dbraw/zinc/05/40/26/448054026.db2.gz IJTIWDQZEXVRNO-INIZCTEOSA-N 2 2 329.444 1.432 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)[C@H]3CCCO3)CC2)cc1 ZINC000527758130 448355225 /nfs/dbraw/zinc/35/52/25/448355225.db2.gz UEJSPWBMRATTFC-RBUKOAKNSA-N 2 2 329.444 1.652 20 30 EDEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000591756779 448482998 /nfs/dbraw/zinc/48/29/98/448482998.db2.gz DCHWOOIZBZDQIT-QFBILLFUSA-N 2 2 345.491 1.403 20 30 EDEDLP N#CC[C@@]1(O)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153782 448714339 /nfs/dbraw/zinc/71/43/39/448714339.db2.gz OOZGHSDKBZVMSR-RTBURBONSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@@]1(O)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000592153782 448714345 /nfs/dbraw/zinc/71/43/45/448714345.db2.gz OOZGHSDKBZVMSR-RTBURBONSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@@]1(O)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153782 448714352 /nfs/dbraw/zinc/71/43/52/448714352.db2.gz OOZGHSDKBZVMSR-RTBURBONSA-N 2 2 329.444 1.628 20 30 EDEDLP N#CC[C@@]1(O)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000592153782 448714357 /nfs/dbraw/zinc/71/43/57/448714357.db2.gz OOZGHSDKBZVMSR-RTBURBONSA-N 2 2 329.444 1.628 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2cccc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000589433406 449015832 /nfs/dbraw/zinc/01/58/32/449015832.db2.gz SEZATXLPMIVAAV-UHFFFAOYSA-N 2 2 341.459 1.633 20 30 EDEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602002977 449270837 /nfs/dbraw/zinc/27/08/37/449270837.db2.gz CMESJYGTPSEOJL-INIZCTEOSA-N 2 2 332.423 1.193 20 30 EDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000594011726 449321349 /nfs/dbraw/zinc/32/13/49/449321349.db2.gz NNBBYWXDVSVBMI-SFHVURJKSA-N 2 2 328.460 1.921 20 30 EDEDLP C[N@H+](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600719807 449516115 /nfs/dbraw/zinc/51/61/15/449516115.db2.gz KUWFSYZXULUIOK-SFHVURJKSA-N 2 2 331.460 1.779 20 30 EDEDLP C[N@@H+](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000600719807 449516118 /nfs/dbraw/zinc/51/61/18/449516118.db2.gz KUWFSYZXULUIOK-SFHVURJKSA-N 2 2 331.460 1.779 20 30 EDEDLP COc1ccc(C#N)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596708168 449617413 /nfs/dbraw/zinc/61/74/13/449617413.db2.gz NOMRSZHEXNLXEQ-UHFFFAOYSA-N 2 2 333.436 1.572 20 30 EDEDLP COc1ccc(C#N)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596708168 449617419 /nfs/dbraw/zinc/61/74/19/449617419.db2.gz NOMRSZHEXNLXEQ-UHFFFAOYSA-N 2 2 333.436 1.572 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3CC#N)C2)CC1 ZINC000601157629 449722489 /nfs/dbraw/zinc/72/24/89/449722489.db2.gz BTSLBTMBWSUSJG-MRXNPFEDSA-N 2 2 326.444 1.651 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3CC#N)C2)CC1 ZINC000601157629 449722491 /nfs/dbraw/zinc/72/24/91/449722491.db2.gz BTSLBTMBWSUSJG-MRXNPFEDSA-N 2 2 326.444 1.651 20 30 EDEDLP N#Cc1cccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000597085367 449804002 /nfs/dbraw/zinc/80/40/02/449804002.db2.gz DWOXSRGDUOKYOX-UHFFFAOYSA-N 2 2 345.410 1.856 20 30 EDEDLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000599668032 450139767 /nfs/dbraw/zinc/13/97/67/450139767.db2.gz AHDFBJSQOZSUCM-MRXNPFEDSA-N 2 2 336.480 1.324 20 30 EDEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595506651 450193992 /nfs/dbraw/zinc/19/39/92/450193992.db2.gz FKZHCFAOPHJBOB-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595506651 450193998 /nfs/dbraw/zinc/19/39/98/450193998.db2.gz FKZHCFAOPHJBOB-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595506651 450194002 /nfs/dbraw/zinc/19/40/02/450194002.db2.gz FKZHCFAOPHJBOB-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595506651 450194008 /nfs/dbraw/zinc/19/40/08/450194008.db2.gz FKZHCFAOPHJBOB-IBGZPJMESA-N 2 2 326.444 1.592 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000124002107 526367512 /nfs/dbraw/zinc/36/75/12/526367512.db2.gz ZQPPIDVPIXOHKR-GFCCVEGCSA-N 2 2 332.374 1.027 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000171710761 526436041 /nfs/dbraw/zinc/43/60/41/526436041.db2.gz MPPIFSIFMAAVFM-UHFFFAOYSA-N 2 2 340.431 1.717 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000106339621 526592916 /nfs/dbraw/zinc/59/29/16/526592916.db2.gz AJEBQXRQNHAKSO-JKSUJKDBSA-N 2 2 338.496 1.435 20 30 EDEDLP N#Cc1cccc(OC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000729543065 578581696 /nfs/dbraw/zinc/58/16/96/578581696.db2.gz FCJWVDTYKHABDR-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3CC#N)C2)CC1 ZINC000777396668 580440728 /nfs/dbraw/zinc/44/07/28/580440728.db2.gz NXYKLAVLADLGHU-GOSISDBHSA-N 2 2 340.471 1.580 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccccc3CC#N)C2)CC1 ZINC000777396668 580440729 /nfs/dbraw/zinc/44/07/29/580440729.db2.gz NXYKLAVLADLGHU-GOSISDBHSA-N 2 2 340.471 1.580 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CCc2cccc(F)c2)CC1 ZINC000748818881 579701992 /nfs/dbraw/zinc/70/19/92/579701992.db2.gz ZXWFDNGAXZUYAT-UHFFFAOYSA-N 2 2 345.462 1.858 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)CCc2cccc(F)c2)CC1 ZINC000748818881 579701993 /nfs/dbraw/zinc/70/19/93/579701993.db2.gz ZXWFDNGAXZUYAT-UHFFFAOYSA-N 2 2 345.462 1.858 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000755073047 579919388 /nfs/dbraw/zinc/91/93/88/579919388.db2.gz VLZZZETXCZMNDC-WOJBJXKFSA-N 2 2 339.483 1.765 20 30 EDEDLP COCC[N@H+](C)CCCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758249487 579978374 /nfs/dbraw/zinc/97/83/74/579978374.db2.gz RDDVTPVKGCQRNS-UHFFFAOYSA-N 2 2 346.475 1.748 20 30 EDEDLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758249487 579978375 /nfs/dbraw/zinc/97/83/75/579978375.db2.gz RDDVTPVKGCQRNS-UHFFFAOYSA-N 2 2 346.475 1.748 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000767935593 580203597 /nfs/dbraw/zinc/20/35/97/580203597.db2.gz MWGNWANFWHWZON-OAQYLSRUSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000767935593 580203598 /nfs/dbraw/zinc/20/35/98/580203598.db2.gz MWGNWANFWHWZON-OAQYLSRUSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC000774837030 580375371 /nfs/dbraw/zinc/37/53/71/580375371.db2.gz VWGYSHCEODBDAI-MRXNPFEDSA-N 2 2 329.444 1.513 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN(O)C3=O)CC2)cc1 ZINC000895163537 591629361 /nfs/dbraw/zinc/62/93/61/591629361.db2.gz VQHBXCTXHNXTPJ-KRWDZBQOSA-N 2 2 328.416 1.492 20 30 EDEDLP Cc1nnc(CCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000902703551 592051449 /nfs/dbraw/zinc/05/14/49/592051449.db2.gz PWURETXITRGNSP-UHFFFAOYSA-N 2 2 345.403 1.090 20 30 EDEDLP Cc1nnc(CCO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000902703551 592051451 /nfs/dbraw/zinc/05/14/51/592051451.db2.gz PWURETXITRGNSP-UHFFFAOYSA-N 2 2 345.403 1.090 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000900856932 592148398 /nfs/dbraw/zinc/14/83/98/592148398.db2.gz DDPCOSLLTZNEIW-UHFFFAOYSA-N 3 2 336.524 1.561 20 30 EDEDLP C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694996 592574598 /nfs/dbraw/zinc/57/45/98/592574598.db2.gz JNAXHKZTZXTZMJ-GJZGRUSLSA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694996 592574601 /nfs/dbraw/zinc/57/46/01/592574601.db2.gz JNAXHKZTZXTZMJ-GJZGRUSLSA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908694996 592574603 /nfs/dbraw/zinc/57/46/03/592574603.db2.gz JNAXHKZTZXTZMJ-GJZGRUSLSA-N 2 2 348.495 1.386 20 30 EDEDLP C=CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908694996 592574605 /nfs/dbraw/zinc/57/46/05/592574605.db2.gz JNAXHKZTZXTZMJ-GJZGRUSLSA-N 2 2 348.495 1.386 20 30 EDEDLP C#Cc1cncc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000807157613 593148843 /nfs/dbraw/zinc/14/88/43/593148843.db2.gz ABPSBEXTSWYMMY-DFNIBXOVSA-N 2 2 338.455 1.446 20 30 EDEDLP C#Cc1cncc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000807157613 593148844 /nfs/dbraw/zinc/14/88/44/593148844.db2.gz ABPSBEXTSWYMMY-DFNIBXOVSA-N 2 2 338.455 1.446 20 30 EDEDLP C=CC[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C(C)C ZINC000839970419 593266054 /nfs/dbraw/zinc/26/60/54/593266054.db2.gz SUFZKJNAZONTCZ-HDICACEKSA-N 2 2 341.455 1.957 20 30 EDEDLP C=CC[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C(C)C ZINC000839970419 593266059 /nfs/dbraw/zinc/26/60/59/593266059.db2.gz SUFZKJNAZONTCZ-HDICACEKSA-N 2 2 341.455 1.957 20 30 EDEDLP C=CC[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C(C)C ZINC000839970419 593266062 /nfs/dbraw/zinc/26/60/62/593266062.db2.gz SUFZKJNAZONTCZ-HDICACEKSA-N 2 2 341.455 1.957 20 30 EDEDLP C[C@H](C#N)OCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000802730720 593273627 /nfs/dbraw/zinc/27/36/27/593273627.db2.gz YTYYRBAMQLLSTD-CQSZACIVSA-N 2 2 332.404 1.084 20 30 EDEDLP C#C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000819284347 593748257 /nfs/dbraw/zinc/74/82/57/593748257.db2.gz MDVVVPOCQXIRLX-UYAOXDASSA-N 2 2 345.487 1.426 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844368647 595331879 /nfs/dbraw/zinc/33/18/79/595331879.db2.gz SMMHSXXIIWMRIF-MAUKXSAKSA-N 2 2 344.459 1.076 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844368647 595331884 /nfs/dbraw/zinc/33/18/84/595331884.db2.gz SMMHSXXIIWMRIF-MAUKXSAKSA-N 2 2 344.459 1.076 20 30 EDEDLP C#CCCCOc1ccc[nH+]c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000853710972 595861158 /nfs/dbraw/zinc/86/11/58/595861158.db2.gz GRLGRFXONHBZFS-UHFFFAOYSA-N 2 2 330.432 1.084 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(C#N)ccc1F ZINC000853793473 595882762 /nfs/dbraw/zinc/88/27/62/595882762.db2.gz BFMNEMXIRBZRGN-UHFFFAOYSA-N 2 2 335.427 1.380 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(C#N)ccc1F ZINC000853793473 595882764 /nfs/dbraw/zinc/88/27/64/595882764.db2.gz BFMNEMXIRBZRGN-UHFFFAOYSA-N 2 2 335.427 1.380 20 30 EDEDLP Cc1cc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc[nH+]1 ZINC000863158671 596511374 /nfs/dbraw/zinc/51/13/74/596511374.db2.gz LLAFJELLRMNSPN-UHFFFAOYSA-N 2 2 331.811 1.884 20 30 EDEDLP C=CCc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc(OC)c1OC ZINC000863551993 596615579 /nfs/dbraw/zinc/61/55/79/596615579.db2.gz UZKPLPIDYGJGQB-QGZVFWFLSA-N 2 2 334.460 1.979 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000867958457 596635490 /nfs/dbraw/zinc/63/54/90/596635490.db2.gz AWJWKHNABGJCAO-IBGZPJMESA-N 2 2 345.406 1.752 20 30 EDEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729088 597310185 /nfs/dbraw/zinc/31/01/85/597310185.db2.gz DQNGGBQFBRQHDR-FZKQIMNGSA-N 2 2 337.427 1.703 20 30 EDEDLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883892555 597932893 /nfs/dbraw/zinc/93/28/93/597932893.db2.gz QQDSUXTYLHRXBC-SFHVURJKSA-N 2 2 341.459 1.480 20 30 EDEDLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883892555 597932895 /nfs/dbraw/zinc/93/28/95/597932895.db2.gz QQDSUXTYLHRXBC-SFHVURJKSA-N 2 2 341.459 1.480 20 30 EDEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571430 597967694 /nfs/dbraw/zinc/96/76/94/597967694.db2.gz PDONEPXGSRDSDW-KRWDZBQOSA-N 2 2 325.416 1.976 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]21 ZINC000992846211 695405046 /nfs/dbraw/zinc/40/50/46/695405046.db2.gz CXMMFSNPVSHYRQ-KBAYOESNSA-N 2 2 349.438 1.731 20 30 EDEDLP N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915363814 695802836 /nfs/dbraw/zinc/80/28/36/695802836.db2.gz FSRVOONLVRVUME-GOSISDBHSA-N 2 2 328.460 1.527 20 30 EDEDLP N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915363814 695802839 /nfs/dbraw/zinc/80/28/39/695802839.db2.gz FSRVOONLVRVUME-GOSISDBHSA-N 2 2 328.460 1.527 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563542 701584148 /nfs/dbraw/zinc/58/41/48/701584148.db2.gz HDYPWAYMXLIHGZ-MRXNPFEDSA-N 2 2 343.475 1.234 20 30 EDEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850639 700943878 /nfs/dbraw/zinc/94/38/78/700943878.db2.gz JXTCVQKQMQHKKU-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850639 700943880 /nfs/dbraw/zinc/94/38/80/700943880.db2.gz JXTCVQKQMQHKKU-CVEARBPZSA-N 2 2 328.460 1.686 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000996858113 703142355 /nfs/dbraw/zinc/14/23/55/703142355.db2.gz OAVIZEMTZUAXKY-MRXNPFEDSA-N 2 2 343.899 1.820 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996858113 703142358 /nfs/dbraw/zinc/14/23/58/703142358.db2.gz OAVIZEMTZUAXKY-MRXNPFEDSA-N 2 2 343.899 1.820 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997649703 703960730 /nfs/dbraw/zinc/96/07/30/703960730.db2.gz QFWPAJOTBALFMM-XJKSGUPXSA-N 2 2 328.460 1.673 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997649703 703960731 /nfs/dbraw/zinc/96/07/31/703960731.db2.gz QFWPAJOTBALFMM-XJKSGUPXSA-N 2 2 328.460 1.673 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094769 705066395 /nfs/dbraw/zinc/06/63/95/705066395.db2.gz YVTOQDJSZFHZGF-RDJZCZTQSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094769 705066397 /nfs/dbraw/zinc/06/63/97/705066397.db2.gz YVTOQDJSZFHZGF-RDJZCZTQSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094769 705066402 /nfs/dbraw/zinc/06/64/02/705066402.db2.gz YVTOQDJSZFHZGF-RDJZCZTQSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094769 705066409 /nfs/dbraw/zinc/06/64/09/705066409.db2.gz YVTOQDJSZFHZGF-RDJZCZTQSA-N 2 2 345.512 1.956 20 30 EDEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999470728 706979779 /nfs/dbraw/zinc/97/97/79/706979779.db2.gz VVZVXLWMJRDTCR-UHFFFAOYSA-N 2 2 327.226 1.440 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033587166 708278670 /nfs/dbraw/zinc/27/86/70/708278670.db2.gz FRPBVPMDTFJECI-KRWDZBQOSA-N 2 2 337.427 1.567 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033587166 708278672 /nfs/dbraw/zinc/27/86/72/708278672.db2.gz FRPBVPMDTFJECI-KRWDZBQOSA-N 2 2 337.427 1.567 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965981 711020582 /nfs/dbraw/zinc/02/05/82/711020582.db2.gz AXLHPOKWXHPPOK-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965981 711020583 /nfs/dbraw/zinc/02/05/83/711020583.db2.gz AXLHPOKWXHPPOK-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965981 711020586 /nfs/dbraw/zinc/02/05/86/711020586.db2.gz AXLHPOKWXHPPOK-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965981 711020588 /nfs/dbraw/zinc/02/05/88/711020588.db2.gz AXLHPOKWXHPPOK-SJLPKXTDSA-N 2 2 344.434 1.824 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033155595 712181400 /nfs/dbraw/zinc/18/14/00/712181400.db2.gz XUACBJLOZUANMU-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033155595 712181401 /nfs/dbraw/zinc/18/14/01/712181401.db2.gz XUACBJLOZUANMU-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033155595 712181404 /nfs/dbraw/zinc/18/14/04/712181404.db2.gz XUACBJLOZUANMU-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001033155595 712181407 /nfs/dbraw/zinc/18/14/07/712181407.db2.gz XUACBJLOZUANMU-ROUUACIJSA-N 2 2 326.444 1.212 20 30 EDEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCn2cc[nH+]c2C1 ZINC000329824190 539467360 /nfs/dbraw/zinc/46/73/60/539467360.db2.gz HTTXUGQSZAZWBG-UHFFFAOYSA-N 2 2 333.436 1.258 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246741581 249311830 /nfs/dbraw/zinc/31/18/30/249311830.db2.gz GUIQXZCLPQRZNI-YJBOKZPZSA-N 2 2 331.464 1.729 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246741581 249311832 /nfs/dbraw/zinc/31/18/32/249311832.db2.gz GUIQXZCLPQRZNI-YJBOKZPZSA-N 2 2 331.464 1.729 20 30 EDEDLP C[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262454956 249320979 /nfs/dbraw/zinc/32/09/79/249320979.db2.gz RLULQDYNIWNXTL-KDOFPFPSSA-N 2 2 340.512 1.466 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343563502 250013295 /nfs/dbraw/zinc/01/32/95/250013295.db2.gz ZLGRGGAZGZYCQK-UHFFFAOYSA-N 2 2 328.460 1.739 20 30 EDEDLP C=CCNC(=O)CN1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346148106 250040631 /nfs/dbraw/zinc/04/06/31/250040631.db2.gz VOSISHIAFUBKKJ-UHFFFAOYSA-N 2 2 345.472 1.354 20 30 EDEDLP N#CC1(NC(=O)CCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000361070521 250168691 /nfs/dbraw/zinc/16/86/91/250168691.db2.gz XFDIHVQKEDXLAR-UHFFFAOYSA-N 2 2 337.427 1.948 20 30 EDEDLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000271293232 140272476 /nfs/dbraw/zinc/27/24/76/140272476.db2.gz NERSWCHQNOVGDP-MAUKXSAKSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000271293232 140272477 /nfs/dbraw/zinc/27/24/77/140272477.db2.gz NERSWCHQNOVGDP-MAUKXSAKSA-N 2 2 337.427 1.954 20 30 EDEDLP COC(=O)c1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)n1 ZINC000573386787 306619736 /nfs/dbraw/zinc/61/97/36/306619736.db2.gz OUGXSSJVRZPKQQ-UHFFFAOYSA-N 2 2 331.420 1.178 20 30 EDEDLP N#Cc1ccccc1OCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000573971630 306639440 /nfs/dbraw/zinc/63/94/40/306639440.db2.gz ANMHWSNHKPLWMI-UHFFFAOYSA-N 2 2 329.444 1.764 20 30 EDEDLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1C#N ZINC000374242638 157210711 /nfs/dbraw/zinc/21/07/11/157210711.db2.gz ZHHCUQDTDHAFSO-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC000374242638 157210714 /nfs/dbraw/zinc/21/07/14/157210714.db2.gz ZHHCUQDTDHAFSO-GOSISDBHSA-N 2 2 328.460 1.779 20 30 EDEDLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528432548 267333937 /nfs/dbraw/zinc/33/39/37/267333937.db2.gz PVBXOEIUUNLHLZ-KRWDZBQOSA-N 2 2 329.444 1.858 20 30 EDEDLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528432548 267333938 /nfs/dbraw/zinc/33/39/38/267333938.db2.gz PVBXOEIUUNLHLZ-KRWDZBQOSA-N 2 2 329.444 1.858 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415778 268295834 /nfs/dbraw/zinc/29/58/34/268295834.db2.gz DZDQZGCTLWPFQS-HOTGVXAUSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415778 268295837 /nfs/dbraw/zinc/29/58/37/268295837.db2.gz DZDQZGCTLWPFQS-HOTGVXAUSA-N 2 2 326.400 1.901 20 30 EDEDLP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000091506441 441708894 /nfs/dbraw/zinc/70/88/94/441708894.db2.gz OHYKIPWXDBJYOR-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000091506441 441708898 /nfs/dbraw/zinc/70/88/98/441708898.db2.gz OHYKIPWXDBJYOR-SFHVURJKSA-N 2 2 342.487 1.787 20 30 EDEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160704129 441911776 /nfs/dbraw/zinc/91/17/76/441911776.db2.gz IHTJOWIUXCHGMT-JTQLQIEISA-N 2 2 332.326 1.642 20 30 EDEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160704129 441911781 /nfs/dbraw/zinc/91/17/81/441911781.db2.gz IHTJOWIUXCHGMT-JTQLQIEISA-N 2 2 332.326 1.642 20 30 EDEDLP N#Cc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129171603 442305156 /nfs/dbraw/zinc/30/51/56/442305156.db2.gz RGGOLEHIEMQBRP-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129171603 442305159 /nfs/dbraw/zinc/30/51/59/442305159.db2.gz RGGOLEHIEMQBRP-SFHVURJKSA-N 2 2 329.444 1.981 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCCNC3=O)CC2)cc1 ZINC000181466302 442699154 /nfs/dbraw/zinc/69/91/54/442699154.db2.gz OJGREQBEBZOEEW-GOSISDBHSA-N 2 2 326.444 1.781 20 30 EDEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C#N ZINC000266200274 443054822 /nfs/dbraw/zinc/05/48/22/443054822.db2.gz KUXFOTXPUXMEPU-KRWDZBQOSA-N 2 2 344.459 1.599 20 30 EDEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C#N ZINC000266200274 443054828 /nfs/dbraw/zinc/05/48/28/443054828.db2.gz KUXFOTXPUXMEPU-KRWDZBQOSA-N 2 2 344.459 1.599 20 30 EDEDLP C[NH+]=C(NCCc1nc(C)no1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261935044 443174556 /nfs/dbraw/zinc/17/45/56/443174556.db2.gz CFQNLTNJERZJII-OCCSQVGLSA-N 2 2 331.424 1.276 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000266853629 443268069 /nfs/dbraw/zinc/26/80/69/443268069.db2.gz FVTULXSMJKXRBL-MAUKXSAKSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000266853629 443268070 /nfs/dbraw/zinc/26/80/70/443268070.db2.gz FVTULXSMJKXRBL-MAUKXSAKSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000266853629 443268072 /nfs/dbraw/zinc/26/80/72/443268072.db2.gz FVTULXSMJKXRBL-MAUKXSAKSA-N 2 2 328.460 1.837 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000266853629 443268074 /nfs/dbraw/zinc/26/80/74/443268074.db2.gz FVTULXSMJKXRBL-MAUKXSAKSA-N 2 2 328.460 1.837 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329321828 444534450 /nfs/dbraw/zinc/53/44/50/444534450.db2.gz JIZGRCXLVGGSQB-HZPDHXFCSA-N 2 2 347.463 1.582 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329321828 444534456 /nfs/dbraw/zinc/53/44/56/444534456.db2.gz JIZGRCXLVGGSQB-HZPDHXFCSA-N 2 2 347.463 1.582 20 30 EDEDLP [O-]C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329539242 444619862 /nfs/dbraw/zinc/61/98/62/444619862.db2.gz CJFNAHUXCLDPRV-ZFWWWQNUSA-N 2 2 347.463 1.272 20 30 EDEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329668526 444672794 /nfs/dbraw/zinc/67/27/94/444672794.db2.gz RAONKGUQAGNVNQ-HOTGVXAUSA-N 2 2 347.463 1.471 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199922 444982853 /nfs/dbraw/zinc/98/28/53/444982853.db2.gz DXDHVMPAKKTNIU-XHSDSOJGSA-N 2 2 349.454 1.051 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1=O ZINC000337199922 444982857 /nfs/dbraw/zinc/98/28/57/444982857.db2.gz DXDHVMPAKKTNIU-XHSDSOJGSA-N 2 2 349.454 1.051 20 30 EDEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330419315 444974256 /nfs/dbraw/zinc/97/42/56/444974256.db2.gz DRWVQTGELLXFQT-UHFFFAOYSA-N 2 2 338.374 1.384 20 30 EDEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330419315 444974260 /nfs/dbraw/zinc/97/42/60/444974260.db2.gz DRWVQTGELLXFQT-UHFFFAOYSA-N 2 2 338.374 1.384 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000363367727 445781586 /nfs/dbraw/zinc/78/15/86/445781586.db2.gz JATOFPKXFNVKMN-UHFFFAOYSA-N 2 2 345.491 1.399 20 30 EDEDLP Cc1nnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1C ZINC000373166849 446068988 /nfs/dbraw/zinc/06/89/88/446068988.db2.gz ODHZRCCFOZQXTG-ZDUSSCGKSA-N 2 2 328.464 1.570 20 30 EDEDLP Cc1nnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1C ZINC000373166849 446068993 /nfs/dbraw/zinc/06/89/93/446068993.db2.gz ODHZRCCFOZQXTG-ZDUSSCGKSA-N 2 2 328.464 1.570 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000375737661 447012493 /nfs/dbraw/zinc/01/24/93/447012493.db2.gz DOZGJDNFNZKNGN-HNNXBMFYSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2)CC1 ZINC000375737661 447012496 /nfs/dbraw/zinc/01/24/96/447012496.db2.gz DOZGJDNFNZKNGN-HNNXBMFYSA-N 2 2 330.407 1.596 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576301375 448022393 /nfs/dbraw/zinc/02/23/93/448022393.db2.gz UJZBBZBTFVNMHK-LESCRADOSA-N 2 2 330.432 1.978 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000576301375 448022396 /nfs/dbraw/zinc/02/23/96/448022396.db2.gz UJZBBZBTFVNMHK-LESCRADOSA-N 2 2 330.432 1.978 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580042 448455338 /nfs/dbraw/zinc/45/53/38/448455338.db2.gz NFXPNNNOADZQSX-HUUCEWRRSA-N 2 2 329.448 1.941 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580042 448455344 /nfs/dbraw/zinc/45/53/44/448455344.db2.gz NFXPNNNOADZQSX-HUUCEWRRSA-N 2 2 329.448 1.941 20 30 EDEDLP N#CC[C@]1(O)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000592153121 448714940 /nfs/dbraw/zinc/71/49/40/448714940.db2.gz JRLRXKLBOVCCFP-IBGZPJMESA-N 2 2 328.460 1.549 20 30 EDEDLP N#CC[C@]1(O)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000592153121 448714949 /nfs/dbraw/zinc/71/49/49/448714949.db2.gz JRLRXKLBOVCCFP-IBGZPJMESA-N 2 2 328.460 1.549 20 30 EDEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000611438862 449291090 /nfs/dbraw/zinc/29/10/90/449291090.db2.gz VMPZTYBZBAQPOR-OXQOHEQNSA-N 2 2 342.487 1.831 20 30 EDEDLP Cc1cc(NCC[N@@H+](C)C2CC2)c(C#N)c(NCC[NH+](C)C2CC2)[nH+]1 ZINC000596087168 449355646 /nfs/dbraw/zinc/35/56/46/449355646.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 3 2 342.491 2.274 20 30 EDEDLP Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)c(NCC[NH+](C)C2CC2)[nH+]1 ZINC000596087168 449355652 /nfs/dbraw/zinc/35/56/52/449355652.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 3 2 342.491 2.274 20 30 EDEDLP Cc1cc(NCC[NH+](C)C2CC2)c(C#N)c(NCC[N@H+](C)C2CC2)[nH+]1 ZINC000596087168 449355655 /nfs/dbraw/zinc/35/56/55/449355655.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 3 2 342.491 2.274 20 30 EDEDLP Cc1cc(NCC[NH+](C)C2CC2)c(C#N)c(NCC[N@@H+](C)C2CC2)[nH+]1 ZINC000596087168 449355661 /nfs/dbraw/zinc/35/56/61/449355661.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 3 2 342.491 2.274 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000596047756 449335896 /nfs/dbraw/zinc/33/58/96/449335896.db2.gz RJVDACIRIVHIDY-RDJZCZTQSA-N 2 2 348.491 1.560 20 30 EDEDLP Cc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1C#N ZINC000600707732 449508086 /nfs/dbraw/zinc/50/80/86/449508086.db2.gz AOGBMYJYXMBMLU-UHFFFAOYSA-N 2 2 336.443 1.941 20 30 EDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438765 449517519 /nfs/dbraw/zinc/51/75/19/449517519.db2.gz LKVQSPYRRVFPMT-NVXWUHKLSA-N 2 2 329.448 1.698 20 30 EDEDLP Cc1cccn2cc(CC[NH2+]C[C@H](O)CC3(C#N)CCOCC3)[nH+]c12 ZINC000600727913 449521224 /nfs/dbraw/zinc/52/12/24/449521224.db2.gz LPYWOFVEKKNDEQ-QGZVFWFLSA-N 2 2 342.443 1.846 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000619508319 450495596 /nfs/dbraw/zinc/49/55/96/450495596.db2.gz XECNFRBHGMGEHY-GOSISDBHSA-N 2 2 326.444 1.689 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663570760 452291037 /nfs/dbraw/zinc/29/10/37/452291037.db2.gz YOKPTKSLCLOUHM-UHFFFAOYSA-N 2 2 331.464 1.890 20 30 EDEDLP C=CC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663570760 452291049 /nfs/dbraw/zinc/29/10/49/452291049.db2.gz YOKPTKSLCLOUHM-UHFFFAOYSA-N 2 2 331.464 1.890 20 30 EDEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000661116030 453719065 /nfs/dbraw/zinc/71/90/65/453719065.db2.gz GZPGTRPYSLTGEJ-IRXDYDNUSA-N 2 2 337.508 1.938 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734134667 578799883 /nfs/dbraw/zinc/79/98/83/578799883.db2.gz VZPMLRMIFXQBRP-MOPGFXCFSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734134667 578799884 /nfs/dbraw/zinc/79/98/84/578799884.db2.gz VZPMLRMIFXQBRP-MOPGFXCFSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000734134667 578799885 /nfs/dbraw/zinc/79/98/85/578799885.db2.gz VZPMLRMIFXQBRP-MOPGFXCFSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000734134667 578799886 /nfs/dbraw/zinc/79/98/86/578799886.db2.gz VZPMLRMIFXQBRP-MOPGFXCFSA-N 2 2 325.456 1.865 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)CC1 ZINC000748812802 579700878 /nfs/dbraw/zinc/70/08/78/579700878.db2.gz HTCKBNXCLMHUFR-LJQANCHMSA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C)CC1 ZINC000748812802 579700879 /nfs/dbraw/zinc/70/08/79/579700879.db2.gz HTCKBNXCLMHUFR-LJQANCHMSA-N 2 2 325.456 1.909 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000748814205 579700994 /nfs/dbraw/zinc/70/09/94/579700994.db2.gz WEYKWFFVFXDYLM-IBGZPJMESA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000748814205 579700997 /nfs/dbraw/zinc/70/09/97/579700997.db2.gz WEYKWFFVFXDYLM-IBGZPJMESA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000748814206 579701065 /nfs/dbraw/zinc/70/10/65/579701065.db2.gz WEYKWFFVFXDYLM-LJQANCHMSA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000748814206 579701066 /nfs/dbraw/zinc/70/10/66/579701066.db2.gz WEYKWFFVFXDYLM-LJQANCHMSA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)Cc2ccccc2F)CC1 ZINC000748814947 579701241 /nfs/dbraw/zinc/70/12/41/579701241.db2.gz IRNHKUOZYBGMDT-UHFFFAOYSA-N 2 2 331.435 1.815 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)Cc2ccccc2F)CC1 ZINC000748814947 579701242 /nfs/dbraw/zinc/70/12/42/579701242.db2.gz IRNHKUOZYBGMDT-UHFFFAOYSA-N 2 2 331.435 1.815 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000748817160 579701738 /nfs/dbraw/zinc/70/17/38/579701738.db2.gz KNNHZAZUOLOLGZ-RTBURBONSA-N 2 2 339.483 1.950 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000748817160 579701740 /nfs/dbraw/zinc/70/17/40/579701740.db2.gz KNNHZAZUOLOLGZ-RTBURBONSA-N 2 2 339.483 1.950 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc(C#N)cc3)cn2)CC1 ZINC000755801590 579935659 /nfs/dbraw/zinc/93/56/59/579935659.db2.gz IVLJQHQXPZJSOJ-UHFFFAOYSA-N 2 2 335.415 1.224 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000899983545 591852033 /nfs/dbraw/zinc/85/20/33/591852033.db2.gz RDRBXTPDGZICCH-UHFFFAOYSA-N 2 2 331.460 1.643 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908437539 592495045 /nfs/dbraw/zinc/49/50/45/592495045.db2.gz QGEFJTRIMBXPDL-UHFFFAOYSA-N 2 2 339.443 1.680 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908437539 592495046 /nfs/dbraw/zinc/49/50/46/592495046.db2.gz QGEFJTRIMBXPDL-UHFFFAOYSA-N 2 2 339.443 1.680 20 30 EDEDLP C#CCNC(=O)CC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000819417672 593753879 /nfs/dbraw/zinc/75/38/79/593753879.db2.gz LVLVIWFFYWJUGS-UHFFFAOYSA-N 2 2 328.460 1.768 20 30 EDEDLP C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823844625 593870829 /nfs/dbraw/zinc/87/08/29/593870829.db2.gz DPRGVMYBYYAPBG-UHFFFAOYSA-N 2 2 333.399 1.560 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000834480128 595136420 /nfs/dbraw/zinc/13/64/20/595136420.db2.gz LKKXPBQKWFJGJQ-DJIMGWMZSA-N 2 2 330.407 1.408 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834480128 595136423 /nfs/dbraw/zinc/13/64/23/595136423.db2.gz LKKXPBQKWFJGJQ-DJIMGWMZSA-N 2 2 330.407 1.408 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000847416582 595414593 /nfs/dbraw/zinc/41/45/93/595414593.db2.gz OJJFVBXFXONOPL-CYBMUJFWSA-N 2 2 342.365 1.624 20 30 EDEDLP N#Cc1ccc(F)c(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000113439501 595749630 /nfs/dbraw/zinc/74/96/30/595749630.db2.gz RXWPWMBOBHEERB-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000113439501 595749634 /nfs/dbraw/zinc/74/96/34/595749634.db2.gz RXWPWMBOBHEERB-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP CO[C@@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000853657262 595848486 /nfs/dbraw/zinc/84/84/86/595848486.db2.gz BSACNAJCENWXRW-SFHVURJKSA-N 2 2 347.459 1.971 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000859281599 596030698 /nfs/dbraw/zinc/03/06/98/596030698.db2.gz UAIBWULRNZXQBU-DLBZAZTESA-N 2 2 340.427 1.911 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000859281599 596030702 /nfs/dbraw/zinc/03/07/02/596030702.db2.gz UAIBWULRNZXQBU-DLBZAZTESA-N 2 2 340.427 1.911 20 30 EDEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000852101210 596044299 /nfs/dbraw/zinc/04/42/99/596044299.db2.gz NKZGTEGZEHMQJM-FQEVSTJZSA-N 2 2 343.471 1.731 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871726462 596678584 /nfs/dbraw/zinc/67/85/84/596678584.db2.gz KMMXRERYFDAKCP-UHFFFAOYSA-N 2 2 330.436 1.295 20 30 EDEDLP c1cn(-c2ccc(N=NC3CCC[N@H+]4CCSC[C@@H]34)nn2)c[nH+]1 ZINC000872369714 596895951 /nfs/dbraw/zinc/89/59/51/596895951.db2.gz NTYWLWKTUQIUCM-ZDUSSCGKSA-N 2 2 329.433 1.641 20 30 EDEDLP c1cn(-c2ccc(N=NC3CCC[N@@H+]4CCSC[C@@H]34)nn2)c[nH+]1 ZINC000872369714 596895952 /nfs/dbraw/zinc/89/59/52/596895952.db2.gz NTYWLWKTUQIUCM-ZDUSSCGKSA-N 2 2 329.433 1.641 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000876740463 597315437 /nfs/dbraw/zinc/31/54/37/597315437.db2.gz DPGOQIVRISNFTF-SFHVURJKSA-N 2 2 335.411 1.805 20 30 EDEDLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876894544 597374458 /nfs/dbraw/zinc/37/44/58/597374458.db2.gz UFAYBKDUYZFPSS-SFHVURJKSA-N 2 2 337.427 1.799 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877202067 597460637 /nfs/dbraw/zinc/46/06/37/597460637.db2.gz XRPLKKWPXUPXCE-ZDUSSCGKSA-N 2 2 340.880 1.721 20 30 EDEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883180816 597679165 /nfs/dbraw/zinc/67/91/65/597679165.db2.gz LVEXDHNOBKOLDS-IEBWSBKVSA-N 2 2 343.471 1.689 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710958 597997762 /nfs/dbraw/zinc/99/77/62/597997762.db2.gz YRJFRYBDSMPQBH-UHFFFAOYSA-N 2 2 339.390 1.841 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880710958 597997764 /nfs/dbraw/zinc/99/77/64/597997764.db2.gz YRJFRYBDSMPQBH-UHFFFAOYSA-N 2 2 339.390 1.841 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993827312 696396216 /nfs/dbraw/zinc/39/62/16/696396216.db2.gz SSBLKHUCBZFIQQ-GOEBONIOSA-N 2 2 330.432 1.486 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000993827312 696396217 /nfs/dbraw/zinc/39/62/17/696396217.db2.gz SSBLKHUCBZFIQQ-GOEBONIOSA-N 2 2 330.432 1.486 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031666362 697447369 /nfs/dbraw/zinc/44/73/69/697447369.db2.gz NRVGZFYNPGNCPI-FQEVSTJZSA-N 2 2 339.483 1.959 20 30 EDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031666362 697447371 /nfs/dbraw/zinc/44/73/71/697447371.db2.gz NRVGZFYNPGNCPI-FQEVSTJZSA-N 2 2 339.483 1.959 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756878 698833310 /nfs/dbraw/zinc/83/33/10/698833310.db2.gz XEPHBSATRGALFN-RHSMWYFYSA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943756878 698833315 /nfs/dbraw/zinc/83/33/15/698833315.db2.gz XEPHBSATRGALFN-RHSMWYFYSA-N 2 2 337.427 1.851 20 30 EDEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596034 701587596 /nfs/dbraw/zinc/58/75/96/701587596.db2.gz UBERXKCIUDRMOP-SFHVURJKSA-N 2 2 346.519 1.103 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)C(C)(C)C1 ZINC000995925452 702251992 /nfs/dbraw/zinc/25/19/92/702251992.db2.gz RXNHMBAVEHUMGT-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)C(C)(C)C1 ZINC000995925452 702251997 /nfs/dbraw/zinc/25/19/97/702251997.db2.gz RXNHMBAVEHUMGT-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120443 702285883 /nfs/dbraw/zinc/28/58/83/702285883.db2.gz FACSLCFQIMTLBO-ZBFHGGJFSA-N 2 2 325.416 1.894 20 30 EDEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120443 702285886 /nfs/dbraw/zinc/28/58/86/702285886.db2.gz FACSLCFQIMTLBO-ZBFHGGJFSA-N 2 2 325.416 1.894 20 30 EDEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995246636 702939853 /nfs/dbraw/zinc/93/98/53/702939853.db2.gz YAXSYZGSURZPTC-QZTJIDSGSA-N 2 2 337.427 1.829 20 30 EDEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997343711 703574616 /nfs/dbraw/zinc/57/46/16/703574616.db2.gz DJPRZYJAXVILSC-INIZCTEOSA-N 2 2 341.883 1.430 20 30 EDEDLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032460112 703650586 /nfs/dbraw/zinc/65/05/86/703650586.db2.gz BZSPRAKEBTUFDA-FHWLQOOXSA-N 2 2 340.471 1.930 20 30 EDEDLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032460112 703650588 /nfs/dbraw/zinc/65/05/88/703650588.db2.gz BZSPRAKEBTUFDA-FHWLQOOXSA-N 2 2 340.471 1.930 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998049168 705247595 /nfs/dbraw/zinc/24/75/95/705247595.db2.gz YHMLWIXJQDLFKS-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000998049168 705247600 /nfs/dbraw/zinc/24/76/00/705247600.db2.gz YHMLWIXJQDLFKS-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999838438 707410380 /nfs/dbraw/zinc/41/03/80/707410380.db2.gz WIHGVDGQZDHUEK-CYBMUJFWSA-N 2 2 341.253 1.762 20 30 EDEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297527 707413915 /nfs/dbraw/zinc/41/39/15/707413915.db2.gz OQEHSUIOYIOOAR-RTBURBONSA-N 2 2 349.519 1.986 20 30 EDEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297527 707413920 /nfs/dbraw/zinc/41/39/20/707413920.db2.gz OQEHSUIOYIOOAR-RTBURBONSA-N 2 2 349.519 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297527 707413925 /nfs/dbraw/zinc/41/39/25/707413925.db2.gz OQEHSUIOYIOOAR-RTBURBONSA-N 2 2 349.519 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297527 707413929 /nfs/dbraw/zinc/41/39/29/707413929.db2.gz OQEHSUIOYIOOAR-RTBURBONSA-N 2 2 349.519 1.986 20 30 EDEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044795046 707427191 /nfs/dbraw/zinc/42/71/91/707427191.db2.gz ZMDBAEQLIDHVLW-WMLDXEAASA-N 2 2 337.427 1.993 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)CC1 ZINC001032800543 708080955 /nfs/dbraw/zinc/08/09/55/708080955.db2.gz MKEFHIXTERFUAS-ROUUACIJSA-N 2 2 343.496 1.878 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)CC1 ZINC001032800543 708080957 /nfs/dbraw/zinc/08/09/57/708080957.db2.gz MKEFHIXTERFUAS-ROUUACIJSA-N 2 2 343.496 1.878 20 30 EDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001756835 708280023 /nfs/dbraw/zinc/28/00/23/708280023.db2.gz LCWDMNOCYCKROU-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001756835 708280026 /nfs/dbraw/zinc/28/00/26/708280026.db2.gz LCWDMNOCYCKROU-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001032827171 709291593 /nfs/dbraw/zinc/29/15/93/709291593.db2.gz OUWMMVFDCLOAML-ULQDDVLXSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001032827171 709291594 /nfs/dbraw/zinc/29/15/94/709291594.db2.gz OUWMMVFDCLOAML-ULQDDVLXSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001032827171 709291595 /nfs/dbraw/zinc/29/15/95/709291595.db2.gz OUWMMVFDCLOAML-ULQDDVLXSA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001032827171 709291596 /nfs/dbraw/zinc/29/15/96/709291596.db2.gz OUWMMVFDCLOAML-ULQDDVLXSA-N 2 2 333.476 1.090 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032968523 711043129 /nfs/dbraw/zinc/04/31/29/711043129.db2.gz QXYZTNMQRPZPDU-CZUORRHYSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032968523 711043131 /nfs/dbraw/zinc/04/31/31/711043131.db2.gz QXYZTNMQRPZPDU-CZUORRHYSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968523 711043135 /nfs/dbraw/zinc/04/31/35/711043135.db2.gz QXYZTNMQRPZPDU-CZUORRHYSA-N 2 2 332.473 1.747 20 30 EDEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001032968523 711043137 /nfs/dbraw/zinc/04/31/37/711043137.db2.gz QXYZTNMQRPZPDU-CZUORRHYSA-N 2 2 332.473 1.747 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001034956081 711425545 /nfs/dbraw/zinc/42/55/45/711425545.db2.gz MQGRKISSWQAQFH-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001034956081 711425547 /nfs/dbraw/zinc/42/55/47/711425547.db2.gz MQGRKISSWQAQFH-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[NH+](Cc2cccs2)CC1 ZINC000262785777 249323583 /nfs/dbraw/zinc/32/35/83/249323583.db2.gz MKDPVDQEVSEHMB-HOCLYGCPSA-N 2 2 336.505 1.602 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374715768 250271109 /nfs/dbraw/zinc/27/11/09/250271109.db2.gz JWIQRZQHQHQWPN-ARFHVFGLSA-N 2 2 330.494 1.066 20 30 EDEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374715768 250271114 /nfs/dbraw/zinc/27/11/14/250271114.db2.gz JWIQRZQHQHQWPN-ARFHVFGLSA-N 2 2 330.494 1.066 20 30 EDEDLP C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000374275753 250257530 /nfs/dbraw/zinc/25/75/30/250257530.db2.gz YSTHJLLCPSLKTB-KRWDZBQOSA-N 2 2 334.508 1.894 20 30 EDEDLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418407387 251365740 /nfs/dbraw/zinc/36/57/40/251365740.db2.gz MNFQSFQIWLQCHQ-QGZVFWFLSA-N 2 2 329.448 1.369 20 30 EDEDLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000424140808 252140099 /nfs/dbraw/zinc/14/00/99/252140099.db2.gz BZNRBZHWXCNDQL-QAPCUYQASA-N 2 2 344.459 1.922 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000490760829 255105562 /nfs/dbraw/zinc/10/55/62/255105562.db2.gz PJBDHWCCTRJIGP-SFHVURJKSA-N 2 2 333.476 1.187 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000490917143 255108441 /nfs/dbraw/zinc/10/84/41/255108441.db2.gz WAHBBOBPRYUOKR-QUCCMNQESA-N 2 2 341.455 1.131 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2ccc(F)cc2F)CC1 ZINC000490922162 255109181 /nfs/dbraw/zinc/10/91/81/255109181.db2.gz BXPOXXLHOBJZJE-QGZVFWFLSA-N 2 2 335.398 1.783 20 30 EDEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000304245983 265989174 /nfs/dbraw/zinc/98/91/74/265989174.db2.gz NZWZANRAVQAJEE-QGZVFWFLSA-N 2 2 327.432 1.388 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@@H](CO)O3)CC2)cc1 ZINC000292817702 268066008 /nfs/dbraw/zinc/06/60/08/268066008.db2.gz WTDYNZYAXCDKPZ-MOPGFXCFSA-N 2 2 329.444 1.652 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000521865151 268285776 /nfs/dbraw/zinc/28/57/76/268285776.db2.gz SZVSRKPPXSDMAG-CYBMUJFWSA-N 2 2 330.413 1.202 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000521865151 268285780 /nfs/dbraw/zinc/28/57/80/268285780.db2.gz SZVSRKPPXSDMAG-CYBMUJFWSA-N 2 2 330.413 1.202 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528485209 268296623 /nfs/dbraw/zinc/29/66/23/268296623.db2.gz LLROHNOTVZUFRV-FUHWJXTLSA-N 2 2 339.395 1.846 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528485209 268296625 /nfs/dbraw/zinc/29/66/25/268296625.db2.gz LLROHNOTVZUFRV-FUHWJXTLSA-N 2 2 339.395 1.846 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000378591709 447444129 /nfs/dbraw/zinc/44/41/29/447444129.db2.gz IXUXLOCNUXNRIB-INIZCTEOSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000378591709 447444132 /nfs/dbraw/zinc/44/41/32/447444132.db2.gz IXUXLOCNUXNRIB-INIZCTEOSA-N 2 2 336.480 1.085 20 30 EDEDLP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1C#N ZINC000131322779 442369786 /nfs/dbraw/zinc/36/97/86/442369786.db2.gz FYGBCMWZGVAVGX-KRWDZBQOSA-N 2 2 342.443 1.481 20 30 EDEDLP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1C#N ZINC000131322779 442369790 /nfs/dbraw/zinc/36/97/90/442369790.db2.gz FYGBCMWZGVAVGX-KRWDZBQOSA-N 2 2 342.443 1.481 20 30 EDEDLP C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261656093 443163185 /nfs/dbraw/zinc/16/31/85/443163185.db2.gz AEDSEDZWXOMDJW-UTUOFQBUSA-N 2 2 333.358 1.265 20 30 EDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N1CC[C@H](COC)C1 ZINC000262487694 443198040 /nfs/dbraw/zinc/19/80/40/443198040.db2.gz TWQSULPPFSHIFE-HNNXBMFYSA-N 2 2 329.448 1.888 20 30 EDEDLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000387313001 319131672 /nfs/dbraw/zinc/13/16/72/319131672.db2.gz AOFROHXUEXVDPP-UHFFFAOYSA-N 2 2 335.473 1.794 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000264732146 443396677 /nfs/dbraw/zinc/39/66/77/443396677.db2.gz RHCXFLUIWSPRNJ-RTBURBONSA-N 2 2 348.535 1.677 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000264732146 443396678 /nfs/dbraw/zinc/39/66/78/443396678.db2.gz RHCXFLUIWSPRNJ-RTBURBONSA-N 2 2 348.535 1.677 20 30 EDEDLP CN(C(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000273325853 443566913 /nfs/dbraw/zinc/56/69/13/443566913.db2.gz HUSOPZHYQKFYID-UHFFFAOYSA-N 2 2 335.883 1.871 20 30 EDEDLP CCCCCCNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000303888268 444237861 /nfs/dbraw/zinc/23/78/61/444237861.db2.gz OUDADJTWXBNGMI-MRXNPFEDSA-N 2 2 328.526 1.679 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000581556176 322192653 /nfs/dbraw/zinc/19/26/53/322192653.db2.gz VBNKXQCPPYKGMK-UHFFFAOYSA-N 2 2 341.459 1.329 20 30 EDEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000329245210 444511713 /nfs/dbraw/zinc/51/17/13/444511713.db2.gz AAQRAEZZRJCJLV-ILXRZTDVSA-N 2 2 335.452 1.061 20 30 EDEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000329245210 444511715 /nfs/dbraw/zinc/51/17/15/444511715.db2.gz AAQRAEZZRJCJLV-ILXRZTDVSA-N 2 2 335.452 1.061 20 30 EDEDLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCn2cc[nH+]c2C1 ZINC000330216682 444892122 /nfs/dbraw/zinc/89/21/22/444892122.db2.gz HYLOICIVDUEESQ-HZPDHXFCSA-N 2 2 347.463 1.381 20 30 EDEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1cc[nH+]c1 ZINC000330249128 444906353 /nfs/dbraw/zinc/90/63/53/444906353.db2.gz GMXZFGRRLMNIEW-KFWWJZLASA-N 2 2 328.420 1.892 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1=O ZINC000337125768 444952693 /nfs/dbraw/zinc/95/26/93/444952693.db2.gz FKHGYRBHUGSABN-KSZLIROESA-N 2 2 334.508 1.264 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1=O ZINC000337125768 444952697 /nfs/dbraw/zinc/95/26/97/444952697.db2.gz FKHGYRBHUGSABN-KSZLIROESA-N 2 2 334.508 1.264 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330309711 444931174 /nfs/dbraw/zinc/93/11/74/444931174.db2.gz UJPFLBTZSZCYFI-GFCCVEGCSA-N 2 2 346.435 1.248 20 30 EDEDLP C=CCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168676 445069915 /nfs/dbraw/zinc/06/99/15/445069915.db2.gz JMGCVHGTKDPVLO-MSOLQXFVSA-N 2 2 337.508 1.985 20 30 EDEDLP C=CCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168676 445069920 /nfs/dbraw/zinc/06/99/20/445069920.db2.gz JMGCVHGTKDPVLO-MSOLQXFVSA-N 2 2 337.508 1.985 20 30 EDEDLP CCn1nccc1C[NH+](C)CC#CC[N@@H+](C)Cc1ccnn1CC ZINC000352370019 445523546 /nfs/dbraw/zinc/52/35/46/445523546.db2.gz VPQDIUGZEAWBGB-UHFFFAOYSA-N 2 2 328.464 1.687 20 30 EDEDLP CCn1nccc1C[NH+](C)CC#CC[N@H+](C)Cc1ccnn1CC ZINC000352370019 445523552 /nfs/dbraw/zinc/52/35/52/445523552.db2.gz VPQDIUGZEAWBGB-UHFFFAOYSA-N 2 2 328.464 1.687 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832476 446467457 /nfs/dbraw/zinc/46/74/57/446467457.db2.gz YLNYUUKQTLWTMB-SFHVURJKSA-N 2 2 326.444 1.799 20 30 EDEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832476 446467461 /nfs/dbraw/zinc/46/74/61/446467461.db2.gz YLNYUUKQTLWTMB-SFHVURJKSA-N 2 2 326.444 1.799 20 30 EDEDLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418437682 446542134 /nfs/dbraw/zinc/54/21/34/446542134.db2.gz IDQREMZISOTYTH-GOSISDBHSA-N 2 2 343.475 1.759 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376732681 446685218 /nfs/dbraw/zinc/68/52/18/446685218.db2.gz FEIOOFSDBFXODT-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376732681 446685223 /nfs/dbraw/zinc/68/52/23/446685223.db2.gz FEIOOFSDBFXODT-SFHVURJKSA-N 2 2 335.492 1.644 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986425 446965458 /nfs/dbraw/zinc/96/54/58/446965458.db2.gz YJRVDPLNQUYREP-UHFFFAOYSA-N 2 2 349.523 1.241 20 30 EDEDLP CCN(CCC#N)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986425 446965464 /nfs/dbraw/zinc/96/54/64/446965464.db2.gz YJRVDPLNQUYREP-UHFFFAOYSA-N 2 2 349.523 1.241 20 30 EDEDLP CCN(CCC#N)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986425 446965472 /nfs/dbraw/zinc/96/54/72/446965472.db2.gz YJRVDPLNQUYREP-UHFFFAOYSA-N 2 2 349.523 1.241 20 30 EDEDLP CCN(CCC#N)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986425 446965481 /nfs/dbraw/zinc/96/54/81/446965481.db2.gz YJRVDPLNQUYREP-UHFFFAOYSA-N 2 2 349.523 1.241 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000583020034 448403862 /nfs/dbraw/zinc/40/38/62/448403862.db2.gz TVSYKBDZMZKDQD-LJHODMEESA-N 2 2 329.444 1.565 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000583020034 448403863 /nfs/dbraw/zinc/40/38/63/448403863.db2.gz TVSYKBDZMZKDQD-LJHODMEESA-N 2 2 329.444 1.565 20 30 EDEDLP C[C@H]1C[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1C ZINC000528395954 448512500 /nfs/dbraw/zinc/51/25/00/448512500.db2.gz MSFCIOFTKPXNCT-HOTGVXAUSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@H]1C[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1C ZINC000528395954 448512505 /nfs/dbraw/zinc/51/25/05/448512505.db2.gz MSFCIOFTKPXNCT-HOTGVXAUSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@H]1C[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395954 448512510 /nfs/dbraw/zinc/51/25/10/448512510.db2.gz MSFCIOFTKPXNCT-HOTGVXAUSA-N 2 2 339.439 1.701 20 30 EDEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC[NH+]1C ZINC000528395954 448512512 /nfs/dbraw/zinc/51/25/12/448512512.db2.gz MSFCIOFTKPXNCT-HOTGVXAUSA-N 2 2 339.439 1.701 20 30 EDEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528400297 448512892 /nfs/dbraw/zinc/51/28/92/448512892.db2.gz ZTXZVDXZSBFRFK-UHFFFAOYSA-N 2 2 348.406 1.889 20 30 EDEDLP N#CCc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000566797492 448561591 /nfs/dbraw/zinc/56/15/91/448561591.db2.gz XNIQSGAAWFBNFK-UHFFFAOYSA-N 2 2 342.487 1.639 20 30 EDEDLP N#CCc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000566797492 448561595 /nfs/dbraw/zinc/56/15/95/448561595.db2.gz XNIQSGAAWFBNFK-UHFFFAOYSA-N 2 2 342.487 1.639 20 30 EDEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000519143397 448746170 /nfs/dbraw/zinc/74/61/70/448746170.db2.gz UTBVAZJFKKRZAO-MRXNPFEDSA-N 2 2 326.400 1.621 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000574033064 448773695 /nfs/dbraw/zinc/77/36/95/448773695.db2.gz FLDISDZDEHIAIT-LJQANCHMSA-N 2 2 330.476 1.943 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000574033064 448773698 /nfs/dbraw/zinc/77/36/98/448773698.db2.gz FLDISDZDEHIAIT-LJQANCHMSA-N 2 2 330.476 1.943 20 30 EDEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000579370936 448780212 /nfs/dbraw/zinc/78/02/12/448780212.db2.gz TZVXZWHXWXSKAI-SFHVURJKSA-N 2 2 344.459 1.417 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593348151 449238124 /nfs/dbraw/zinc/23/81/24/449238124.db2.gz JALNUKXLJYVMHO-HNNXBMFYSA-N 2 2 333.480 1.538 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593348151 449238129 /nfs/dbraw/zinc/23/81/29/449238129.db2.gz JALNUKXLJYVMHO-HNNXBMFYSA-N 2 2 333.480 1.538 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000590690048 449247445 /nfs/dbraw/zinc/24/74/45/449247445.db2.gz GJAVAKIFGMEXMD-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000590690048 449247450 /nfs/dbraw/zinc/24/74/50/449247450.db2.gz GJAVAKIFGMEXMD-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 EDEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997726 449269053 /nfs/dbraw/zinc/26/90/53/449269053.db2.gz BZXNAZAWUXGTRR-QGZVFWFLSA-N 2 2 332.423 1.730 20 30 EDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997726 449269062 /nfs/dbraw/zinc/26/90/62/449269062.db2.gz BZXNAZAWUXGTRR-QGZVFWFLSA-N 2 2 332.423 1.730 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000596579777 449560186 /nfs/dbraw/zinc/56/01/86/449560186.db2.gz DHPNTYQRNKLDED-GOSISDBHSA-N 2 2 343.475 1.728 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000596579777 449560191 /nfs/dbraw/zinc/56/01/91/449560191.db2.gz DHPNTYQRNKLDED-GOSISDBHSA-N 2 2 343.475 1.728 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(NCC[N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000599011035 449697653 /nfs/dbraw/zinc/69/76/53/449697653.db2.gz XAKUVIMQALTVIM-LJQANCHMSA-N 2 2 328.460 1.179 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(NCC[N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000599011035 449697661 /nfs/dbraw/zinc/69/76/61/449697661.db2.gz XAKUVIMQALTVIM-LJQANCHMSA-N 2 2 328.460 1.179 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CC[C@@H](O)C3)CC2)cc1 ZINC000599011035 449697666 /nfs/dbraw/zinc/69/76/66/449697666.db2.gz XAKUVIMQALTVIM-LJQANCHMSA-N 2 2 328.460 1.179 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973597 449975385 /nfs/dbraw/zinc/97/53/85/449975385.db2.gz BZUWWGDAAVXNTJ-BRWVUGGUSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973597 449975390 /nfs/dbraw/zinc/97/53/90/449975390.db2.gz BZUWWGDAAVXNTJ-BRWVUGGUSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973597 449975394 /nfs/dbraw/zinc/97/53/94/449975394.db2.gz BZUWWGDAAVXNTJ-BRWVUGGUSA-N 2 2 336.480 1.083 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973597 449975399 /nfs/dbraw/zinc/97/53/99/449975399.db2.gz BZUWWGDAAVXNTJ-BRWVUGGUSA-N 2 2 336.480 1.083 20 30 EDEDLP Cc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000603428206 450297776 /nfs/dbraw/zinc/29/77/76/450297776.db2.gz LCJSZPHTQIZEFA-HXUWFJFHSA-N 2 2 342.487 1.753 20 30 EDEDLP Cc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000603428205 450298270 /nfs/dbraw/zinc/29/82/70/450298270.db2.gz LCJSZPHTQIZEFA-FQEVSTJZSA-N 2 2 342.487 1.753 20 30 EDEDLP C=CCOCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666519863 452935579 /nfs/dbraw/zinc/93/55/79/452935579.db2.gz WOCFXXZVGALATK-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCOCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666519863 452935585 /nfs/dbraw/zinc/93/55/85/452935585.db2.gz WOCFXXZVGALATK-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000171740827 526427511 /nfs/dbraw/zinc/42/75/11/526427511.db2.gz GZKPJAOZLOKNNN-UHFFFAOYSA-N 2 2 343.475 1.559 20 30 EDEDLP CC[N@@H+](CC(=O)NCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743872873 579493141 /nfs/dbraw/zinc/49/31/41/579493141.db2.gz DBZNZWSRBDEERG-UHFFFAOYSA-N 2 2 329.448 1.650 20 30 EDEDLP CC[N@H+](CC(=O)NCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743872873 579493142 /nfs/dbraw/zinc/49/31/42/579493142.db2.gz DBZNZWSRBDEERG-UHFFFAOYSA-N 2 2 329.448 1.650 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000759434748 580005800 /nfs/dbraw/zinc/00/58/00/580005800.db2.gz DGZKWXNISYOQGQ-SJORKVTESA-N 2 2 335.492 1.337 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730097086 578614086 /nfs/dbraw/zinc/61/40/86/578614086.db2.gz AFRMIMNOMGJVON-IBGZPJMESA-N 2 2 340.471 1.022 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730097086 578614088 /nfs/dbraw/zinc/61/40/88/578614088.db2.gz AFRMIMNOMGJVON-IBGZPJMESA-N 2 2 340.471 1.022 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000730275253 578638301 /nfs/dbraw/zinc/63/83/01/578638301.db2.gz ZVCNGXVRGLVUQD-IBGZPJMESA-N 2 2 325.456 1.819 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000730275253 578638304 /nfs/dbraw/zinc/63/83/04/578638304.db2.gz ZVCNGXVRGLVUQD-IBGZPJMESA-N 2 2 325.456 1.819 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000730275253 578638305 /nfs/dbraw/zinc/63/83/05/578638305.db2.gz ZVCNGXVRGLVUQD-IBGZPJMESA-N 2 2 325.456 1.819 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CC)CC1 ZINC000748818878 579701968 /nfs/dbraw/zinc/70/19/68/579701968.db2.gz ZXASGQOQMVAZKU-IBGZPJMESA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2CC)CC1 ZINC000748818878 579701969 /nfs/dbraw/zinc/70/19/69/579701969.db2.gz ZXASGQOQMVAZKU-IBGZPJMESA-N 2 2 325.456 1.773 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000788000053 580712862 /nfs/dbraw/zinc/71/28/62/580712862.db2.gz QHMABWZCBYKRTJ-UHFFFAOYSA-N 2 2 327.472 1.983 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000788000053 580712863 /nfs/dbraw/zinc/71/28/63/580712863.db2.gz QHMABWZCBYKRTJ-UHFFFAOYSA-N 2 2 327.472 1.983 20 30 EDEDLP Cc1nccc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000794720622 580904541 /nfs/dbraw/zinc/90/45/41/580904541.db2.gz MGHYPICVSNBHRU-UHFFFAOYSA-N 2 2 341.415 1.454 20 30 EDEDLP C#CC[C@H](COC)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895671948 591247944 /nfs/dbraw/zinc/24/79/44/591247944.db2.gz NDXQEKQNYVLNHN-MRXNPFEDSA-N 2 2 339.480 1.603 20 30 EDEDLP C#CC[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000895810537 591274741 /nfs/dbraw/zinc/27/47/41/591274741.db2.gz FOBCPFRYUKNCPW-UHFFFAOYSA-N 2 2 327.436 1.673 20 30 EDEDLP CCc1ncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000902703421 592051454 /nfs/dbraw/zinc/05/14/54/592051454.db2.gz JZGAELJIEQTGHM-UHFFFAOYSA-N 2 2 344.415 1.906 20 30 EDEDLP CCc1ncc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000902703421 592051456 /nfs/dbraw/zinc/05/14/56/592051456.db2.gz JZGAELJIEQTGHM-UHFFFAOYSA-N 2 2 344.415 1.906 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#CCO)c1 ZINC000900692166 592096336 /nfs/dbraw/zinc/09/63/36/592096336.db2.gz FLBKGDXLAHDTNQ-UHFFFAOYSA-N 2 2 343.471 1.128 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C#CCO)c1 ZINC000900692166 592096339 /nfs/dbraw/zinc/09/63/39/592096339.db2.gz FLBKGDXLAHDTNQ-UHFFFAOYSA-N 2 2 343.471 1.128 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H]2C)c(OC)c1 ZINC000905540361 592556376 /nfs/dbraw/zinc/55/63/76/592556376.db2.gz JIKDJBGAVFDPOG-UAGQMJEPSA-N 2 2 334.460 1.846 20 30 EDEDLP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c(OC)c1 ZINC000905540361 592556378 /nfs/dbraw/zinc/55/63/78/592556378.db2.gz JIKDJBGAVFDPOG-UAGQMJEPSA-N 2 2 334.460 1.846 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201149 /nfs/dbraw/zinc/20/11/49/593201149.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201151 /nfs/dbraw/zinc/20/11/51/593201151.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201153 /nfs/dbraw/zinc/20/11/53/593201153.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 2 325.456 1.817 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201155 /nfs/dbraw/zinc/20/11/55/593201155.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 2 325.456 1.817 20 30 EDEDLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852863375 595583751 /nfs/dbraw/zinc/58/37/51/595583751.db2.gz UNXHVOOTFQFVFQ-UHFFFAOYSA-N 2 2 349.519 1.731 20 30 EDEDLP Cn1c[nH+]cc1CCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000853673114 595851974 /nfs/dbraw/zinc/85/19/74/595851974.db2.gz QKUCIAVPCQXLGI-UHFFFAOYSA-N 2 2 343.431 1.261 20 30 EDEDLP Cn1nccc1CCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729167 596679521 /nfs/dbraw/zinc/67/95/21/596679521.db2.gz DDZSIAJFUFHUJN-UHFFFAOYSA-N 2 2 343.431 1.132 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(C)c3[nH+]cccc3C2)CC1 ZINC000868283696 596763649 /nfs/dbraw/zinc/76/36/49/596763649.db2.gz DXGDERJUUWJQLG-UHFFFAOYSA-N 2 2 329.448 1.693 20 30 EDEDLP C(=NNc1cc[nH+]cc1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872363604 596895698 /nfs/dbraw/zinc/89/56/98/596895698.db2.gz JTOGXVFCKYQUHJ-UHFFFAOYSA-N 2 2 326.400 1.661 20 30 EDEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876645474 597273215 /nfs/dbraw/zinc/27/32/15/597273215.db2.gz JVXLZKKCUOUWPO-UHFFFAOYSA-N 2 2 349.866 1.496 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939208499 699354449 /nfs/dbraw/zinc/35/44/49/699354449.db2.gz CRRMQSNVOGYZFF-SKDRFNHKSA-N 2 2 327.226 1.297 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000939211656 699359931 /nfs/dbraw/zinc/35/99/31/699359931.db2.gz UMFFRPGYTKPBRG-PXAZEXFGSA-N 2 2 341.390 1.600 20 30 EDEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939536282 699677387 /nfs/dbraw/zinc/67/73/87/699677387.db2.gz VIYLBIWHUOMESS-KDOFPFPSSA-N 2 2 337.427 1.471 20 30 EDEDLP CC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482607 700670385 /nfs/dbraw/zinc/67/03/85/700670385.db2.gz HLZJJHMEMIQFOD-UHFFFAOYSA-N 2 2 337.427 1.926 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032122885 701664136 /nfs/dbraw/zinc/66/41/36/701664136.db2.gz FMMUFIAUNCQRHI-UHFFFAOYSA-N 2 2 325.416 1.895 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C)no2)C(C)(C)C1 ZINC000995925460 702251854 /nfs/dbraw/zinc/25/18/54/702251854.db2.gz RXNHMBAVEHUMGT-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C)no2)C(C)(C)C1 ZINC000995925460 702251856 /nfs/dbraw/zinc/25/18/56/702251856.db2.gz RXNHMBAVEHUMGT-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP N#Cc1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)ccc1F ZINC000997412527 703668119 /nfs/dbraw/zinc/66/81/19/703668119.db2.gz BHTIUHWYEGKGJV-UHFFFAOYSA-N 2 2 341.390 1.675 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000999313931 706817510 /nfs/dbraw/zinc/81/75/10/706817510.db2.gz BXQQKHPTXAMJMM-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000999313931 706817512 /nfs/dbraw/zinc/81/75/12/706817512.db2.gz BXQQKHPTXAMJMM-GOSISDBHSA-N 2 2 337.427 1.995 20 30 EDEDLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000999604975 707069551 /nfs/dbraw/zinc/06/95/51/707069551.db2.gz BIJJTRRAUFMCBB-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999788545 707405534 /nfs/dbraw/zinc/40/55/34/707405534.db2.gz CZNMIZBZHDCFKY-JKSUJKDBSA-N 2 2 343.899 1.820 20 30 EDEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999788545 707405535 /nfs/dbraw/zinc/40/55/35/707405535.db2.gz CZNMIZBZHDCFKY-JKSUJKDBSA-N 2 2 343.899 1.820 20 30 EDEDLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000999917610 707559787 /nfs/dbraw/zinc/55/97/87/707559787.db2.gz VDCBWGMSYXVWFE-UHFFFAOYSA-N 2 2 341.390 1.673 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)CC1 ZINC001033683498 708495032 /nfs/dbraw/zinc/49/50/32/708495032.db2.gz HNRTXTZJBRDJAG-INIZCTEOSA-N 2 2 346.500 1.521 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)CC1 ZINC001033683498 708495035 /nfs/dbraw/zinc/49/50/35/708495035.db2.gz HNRTXTZJBRDJAG-INIZCTEOSA-N 2 2 346.500 1.521 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041415 709289998 /nfs/dbraw/zinc/28/99/98/709289998.db2.gz DBAJJOJNDHEBMO-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034041415 709290000 /nfs/dbraw/zinc/29/00/00/709290000.db2.gz DBAJJOJNDHEBMO-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034041415 709290002 /nfs/dbraw/zinc/29/00/02/709290002.db2.gz DBAJJOJNDHEBMO-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034041415 709290005 /nfs/dbraw/zinc/29/00/05/709290005.db2.gz DBAJJOJNDHEBMO-KGLIPLIRSA-N 2 2 344.297 1.770 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cncs2)CC1 ZINC001005519095 709434404 /nfs/dbraw/zinc/43/44/04/709434404.db2.gz SUJCFEJQULDAHB-KRWDZBQOSA-N 2 2 346.500 1.664 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cncs2)CC1 ZINC001005519095 709434406 /nfs/dbraw/zinc/43/44/06/709434406.db2.gz SUJCFEJQULDAHB-KRWDZBQOSA-N 2 2 346.500 1.664 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001034249614 709611354 /nfs/dbraw/zinc/61/13/54/709611354.db2.gz LVZBHPZBFOTKFH-WMZOPIPTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnc(C)o2)C1 ZINC001034249614 709611355 /nfs/dbraw/zinc/61/13/55/709611355.db2.gz LVZBHPZBFOTKFH-WMZOPIPTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnc(C)o2)C1 ZINC001034249614 709611358 /nfs/dbraw/zinc/61/13/58/709611358.db2.gz LVZBHPZBFOTKFH-WMZOPIPTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnc(C)o2)C1 ZINC001034249614 709611361 /nfs/dbraw/zinc/61/13/61/709611361.db2.gz LVZBHPZBFOTKFH-WMZOPIPTSA-N 2 2 344.459 1.551 20 30 EDEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000329484519 539438691 /nfs/dbraw/zinc/43/86/91/539438691.db2.gz QMUZCQQPSRIMRW-HNNXBMFYSA-N 2 2 325.501 1.000 20 30 EDEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000329484519 539438696 /nfs/dbraw/zinc/43/86/96/539438696.db2.gz QMUZCQQPSRIMRW-HNNXBMFYSA-N 2 2 325.501 1.000 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000329549679 539443625 /nfs/dbraw/zinc/44/36/25/539443625.db2.gz ACYCIIDSCGKTMU-RHSMWYFYSA-N 2 2 333.480 1.741 20 30 EDEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155546229 206016283 /nfs/dbraw/zinc/01/62/83/206016283.db2.gz YJPJLEVVFWCENG-UHFFFAOYSA-N 2 2 330.432 1.033 20 30 EDEDLP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000174262722 207004082 /nfs/dbraw/zinc/00/40/82/207004082.db2.gz OJTHOZBKTDVRAU-UHFFFAOYSA-N 2 2 330.480 1.908 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000490917130 255108728 /nfs/dbraw/zinc/10/87/28/255108728.db2.gz WAHBBOBPRYUOKR-AZUAARDMSA-N 2 2 341.455 1.131 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000490922973 255109324 /nfs/dbraw/zinc/10/93/24/255109324.db2.gz HXLDPGPOMJSNHC-UHFFFAOYSA-N 2 2 340.471 1.114 20 30 EDEDLP Cn1cc([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000271910453 140371305 /nfs/dbraw/zinc/37/13/05/140371305.db2.gz XXAVJMQKVIYNAL-LJQANCHMSA-N 2 2 339.443 1.579 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)s1 ZINC000369972435 155259952 /nfs/dbraw/zinc/25/99/52/155259952.db2.gz FZPHQVWILQVILU-MRXNPFEDSA-N 2 2 348.472 1.033 20 30 EDEDLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)C1 ZINC000378352416 158149173 /nfs/dbraw/zinc/14/91/73/158149173.db2.gz DCBQNQXVUVHXCV-QGZVFWFLSA-N 2 2 338.459 1.418 20 30 EDEDLP C[N@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)C1 ZINC000378352416 158149175 /nfs/dbraw/zinc/14/91/75/158149175.db2.gz DCBQNQXVUVHXCV-QGZVFWFLSA-N 2 2 338.459 1.418 20 30 EDEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000516291006 270015105 /nfs/dbraw/zinc/01/51/05/270015105.db2.gz FAKGEZGCCXYCIK-UHFFFAOYSA-N 2 2 349.398 1.327 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611416 306180641 /nfs/dbraw/zinc/18/06/41/306180641.db2.gz ILYMKWGPMHMXMK-IEBWSBKVSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552611416 306180642 /nfs/dbraw/zinc/18/06/42/306180642.db2.gz ILYMKWGPMHMXMK-IEBWSBKVSA-N 2 2 347.459 1.244 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000173578667 441797066 /nfs/dbraw/zinc/79/70/66/441797066.db2.gz RTVLUSJDSNQPDL-GOSISDBHSA-N 2 2 337.508 1.890 20 30 EDEDLP CN(C)c1nc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000133926092 442440966 /nfs/dbraw/zinc/44/09/66/442440966.db2.gz WPWIDYWZXPBUOW-UHFFFAOYSA-N 2 2 339.418 1.855 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189610810 442985038 /nfs/dbraw/zinc/98/50/38/442985038.db2.gz WHFZHQFWNWPYTC-WMWLNJEOSA-N 2 2 349.519 1.985 20 30 EDEDLP C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000189610810 442985042 /nfs/dbraw/zinc/98/50/42/442985042.db2.gz WHFZHQFWNWPYTC-WMWLNJEOSA-N 2 2 349.519 1.985 20 30 EDEDLP C[NH+]=C(NCc1c[nH]nc1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263237614 443227663 /nfs/dbraw/zinc/22/76/63/443227663.db2.gz KBXVZCCGOUFSFS-UHFFFAOYSA-N 2 2 348.495 1.418 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245626708 443241456 /nfs/dbraw/zinc/24/14/56/443241456.db2.gz PDRAUCWQOBGHGC-ZWKOTPCHSA-N 2 2 349.523 1.096 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245626708 443241461 /nfs/dbraw/zinc/24/14/61/443241461.db2.gz PDRAUCWQOBGHGC-ZWKOTPCHSA-N 2 2 349.523 1.096 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283084245 443517155 /nfs/dbraw/zinc/51/71/55/443517155.db2.gz LDKWWAIATNCKOC-GJZGRUSLSA-N 2 2 346.500 1.567 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283084245 443517159 /nfs/dbraw/zinc/51/71/59/443517159.db2.gz LDKWWAIATNCKOC-GJZGRUSLSA-N 2 2 346.500 1.567 20 30 EDEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000329035805 444453865 /nfs/dbraw/zinc/45/38/65/444453865.db2.gz RCRCVODBATZLDA-BRWVUGGUSA-N 2 2 345.491 1.746 20 30 EDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332262864 444507663 /nfs/dbraw/zinc/50/76/63/444507663.db2.gz FFUQWRHGUNVOFI-ROUUACIJSA-N 2 2 349.523 1.095 20 30 EDEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332262864 444507665 /nfs/dbraw/zinc/50/76/65/444507665.db2.gz FFUQWRHGUNVOFI-ROUUACIJSA-N 2 2 349.523 1.095 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@H+](C)CC1)C1CCOCC1 ZINC000329320115 444533731 /nfs/dbraw/zinc/53/37/31/444533731.db2.gz IUGFUCKWSJHRQU-HNNXBMFYSA-N 2 2 335.452 1.439 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)C1CCOCC1 ZINC000329320115 444533735 /nfs/dbraw/zinc/53/37/35/444533735.db2.gz IUGFUCKWSJHRQU-HNNXBMFYSA-N 2 2 335.452 1.439 20 30 EDEDLP CC#CC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000339755086 445166998 /nfs/dbraw/zinc/16/69/98/445166998.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP CC#CC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000339755086 445167003 /nfs/dbraw/zinc/16/70/03/445167003.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP CC#CC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000339755086 445167008 /nfs/dbraw/zinc/16/70/08/445167008.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP CC#CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000339755086 445167012 /nfs/dbraw/zinc/16/70/12/445167012.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 2 343.471 1.685 20 30 EDEDLP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000342122649 445184649 /nfs/dbraw/zinc/18/46/49/445184649.db2.gz GUGAQQTUVSFMOE-JSJNYSNDSA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000342122649 445184652 /nfs/dbraw/zinc/18/46/52/445184652.db2.gz GUGAQQTUVSFMOE-JSJNYSNDSA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000342122649 445184654 /nfs/dbraw/zinc/18/46/54/445184654.db2.gz GUGAQQTUVSFMOE-JSJNYSNDSA-N 2 2 332.488 1.988 20 30 EDEDLP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000342122649 445184657 /nfs/dbraw/zinc/18/46/57/445184657.db2.gz GUGAQQTUVSFMOE-JSJNYSNDSA-N 2 2 332.488 1.988 20 30 EDEDLP CC(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000357323044 445548393 /nfs/dbraw/zinc/54/83/93/445548393.db2.gz VZRWBUAZMGOYIO-UHFFFAOYSA-N 2 2 328.460 1.790 20 30 EDEDLP CC(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000357323044 445548398 /nfs/dbraw/zinc/54/83/98/445548398.db2.gz VZRWBUAZMGOYIO-UHFFFAOYSA-N 2 2 328.460 1.790 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000361505037 445792755 /nfs/dbraw/zinc/79/27/55/445792755.db2.gz UHNLTQJFNXXXIE-SFHVURJKSA-N 2 2 326.444 1.592 20 30 EDEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000361505037 445792759 /nfs/dbraw/zinc/79/27/59/445792759.db2.gz UHNLTQJFNXXXIE-SFHVURJKSA-N 2 2 326.444 1.592 20 30 EDEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000354203833 445996936 /nfs/dbraw/zinc/99/69/36/445996936.db2.gz CKTMRWDYHPBJTI-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000354203833 445996941 /nfs/dbraw/zinc/99/69/41/445996941.db2.gz CKTMRWDYHPBJTI-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000354203833 445996947 /nfs/dbraw/zinc/99/69/47/445996947.db2.gz CKTMRWDYHPBJTI-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000354203833 445996952 /nfs/dbraw/zinc/99/69/52/445996952.db2.gz CKTMRWDYHPBJTI-CRAIPNDOSA-N 2 2 328.460 1.979 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374746685 446390723 /nfs/dbraw/zinc/39/07/23/446390723.db2.gz BQWSLEJNJIEFRT-HNNXBMFYSA-N 2 2 326.444 1.858 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374746685 446390728 /nfs/dbraw/zinc/39/07/28/446390728.db2.gz BQWSLEJNJIEFRT-HNNXBMFYSA-N 2 2 326.444 1.858 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(C#N)cc1Cl ZINC000432491214 446473993 /nfs/dbraw/zinc/47/39/93/446473993.db2.gz BPNYMZAUPBLJRG-UHFFFAOYSA-N 2 2 349.866 1.705 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(C#N)cc1Cl ZINC000432491214 446473998 /nfs/dbraw/zinc/47/39/98/446473998.db2.gz BPNYMZAUPBLJRG-UHFFFAOYSA-N 2 2 349.866 1.705 20 30 EDEDLP C#Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000368029695 446618823 /nfs/dbraw/zinc/61/88/23/446618823.db2.gz KROAKDPQQSXANA-XLIONFOSSA-N 2 2 327.472 1.505 20 30 EDEDLP C#Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000368029695 446618829 /nfs/dbraw/zinc/61/88/29/446618829.db2.gz KROAKDPQQSXANA-XLIONFOSSA-N 2 2 327.472 1.505 20 30 EDEDLP C#Cc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000368029695 446618833 /nfs/dbraw/zinc/61/88/33/446618833.db2.gz KROAKDPQQSXANA-XLIONFOSSA-N 2 2 327.472 1.505 20 30 EDEDLP C#Cc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000368029695 446618840 /nfs/dbraw/zinc/61/88/40/446618840.db2.gz KROAKDPQQSXANA-XLIONFOSSA-N 2 2 327.472 1.505 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000368490159 446894221 /nfs/dbraw/zinc/89/42/21/446894221.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000368490159 446894225 /nfs/dbraw/zinc/89/42/25/446894225.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368490159 446894231 /nfs/dbraw/zinc/89/42/31/446894231.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 2 343.471 1.347 20 30 EDEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368490159 446894238 /nfs/dbraw/zinc/89/42/38/446894238.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 2 343.471 1.347 20 30 EDEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377484700 447155604 /nfs/dbraw/zinc/15/56/04/447155604.db2.gz HIEKEAGXLQKQBW-KRWDZBQOSA-N 2 2 343.475 1.992 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363604 447468707 /nfs/dbraw/zinc/46/87/07/447468707.db2.gz KRYUDLBGZOZGOR-CYBMUJFWSA-N 2 2 329.448 1.435 20 30 EDEDLP Cc1[nH]c(C#N)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363604 447468714 /nfs/dbraw/zinc/46/87/14/447468714.db2.gz KRYUDLBGZOZGOR-CYBMUJFWSA-N 2 2 329.448 1.435 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000490915046 447908668 /nfs/dbraw/zinc/90/86/68/447908668.db2.gz LFTBTMHSUMYRCN-HNNXBMFYSA-N 2 2 342.443 1.073 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000491166438 447946298 /nfs/dbraw/zinc/94/62/98/447946298.db2.gz ROEDUAIXHZBLIS-OAHLLOKOSA-N 2 2 337.489 1.543 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000491166438 447946300 /nfs/dbraw/zinc/94/63/00/447946300.db2.gz ROEDUAIXHZBLIS-OAHLLOKOSA-N 2 2 337.489 1.543 20 30 EDEDLP CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C#N ZINC000570498844 448027160 /nfs/dbraw/zinc/02/71/60/448027160.db2.gz JAZQQYDMKKIQOG-OAHLLOKOSA-N 2 2 331.420 1.452 20 30 EDEDLP CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C#N ZINC000570498844 448027162 /nfs/dbraw/zinc/02/71/62/448027162.db2.gz JAZQQYDMKKIQOG-OAHLLOKOSA-N 2 2 331.420 1.452 20 30 EDEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000491657897 448076305 /nfs/dbraw/zinc/07/63/05/448076305.db2.gz ABCRWHXZKGFZSJ-FQEVSTJZSA-N 2 2 345.462 1.886 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000582841463 448355478 /nfs/dbraw/zinc/35/54/78/448355478.db2.gz ILHCNAGGAVYACQ-UXHICEINSA-N 2 2 344.503 1.837 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000582841463 448355487 /nfs/dbraw/zinc/35/54/87/448355487.db2.gz ILHCNAGGAVYACQ-UXHICEINSA-N 2 2 344.503 1.837 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000591501526 448380735 /nfs/dbraw/zinc/38/07/35/448380735.db2.gz JUZGORAQVYYYCT-KRWDZBQOSA-N 2 2 332.423 1.193 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC#Cc3ccccc3)C2)CC1 ZINC000604165008 449184281 /nfs/dbraw/zinc/18/42/81/449184281.db2.gz VQDCEUQSYVQELR-GOSISDBHSA-N 2 2 340.471 1.506 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC#Cc3ccccc3)C2)CC1 ZINC000604165008 449184285 /nfs/dbraw/zinc/18/42/85/449184285.db2.gz VQDCEUQSYVQELR-GOSISDBHSA-N 2 2 340.471 1.506 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000593885597 449263997 /nfs/dbraw/zinc/26/39/97/449263997.db2.gz GJGXFUJVRWSFKO-UHFFFAOYSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000593885597 449264004 /nfs/dbraw/zinc/26/40/04/449264004.db2.gz GJGXFUJVRWSFKO-UHFFFAOYSA-N 2 2 337.427 1.995 20 30 EDEDLP N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000611430537 449287894 /nfs/dbraw/zinc/28/78/94/449287894.db2.gz CUFGQKDTDQFGGV-UHFFFAOYSA-N 2 2 326.404 1.832 20 30 EDEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000602512407 449640150 /nfs/dbraw/zinc/64/01/50/449640150.db2.gz URFJTZAZSMHUQV-UHFFFAOYSA-N 2 2 337.431 1.045 20 30 EDEDLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602665755 449738567 /nfs/dbraw/zinc/73/85/67/449738567.db2.gz UPZPMTHNMNRHIK-UHFFFAOYSA-N 2 2 325.416 1.969 20 30 EDEDLP N#CC[C@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602697895 449755018 /nfs/dbraw/zinc/75/50/18/449755018.db2.gz QMCHUPWTDBPVJR-IBGZPJMESA-N 2 2 345.443 1.248 20 30 EDEDLP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602697895 449755025 /nfs/dbraw/zinc/75/50/25/449755025.db2.gz QMCHUPWTDBPVJR-IBGZPJMESA-N 2 2 345.443 1.248 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC000595516932 450201099 /nfs/dbraw/zinc/20/10/99/450201099.db2.gz QPSYNUIBFULSMV-CVEARBPZSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](CC#N)C3)C2)CC1 ZINC000595516932 450201103 /nfs/dbraw/zinc/20/11/03/450201103.db2.gz QPSYNUIBFULSMV-CVEARBPZSA-N 2 2 333.480 1.490 20 30 EDEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000603427364 450297449 /nfs/dbraw/zinc/29/74/49/450297449.db2.gz GYVZBSKRRCLWCI-LJQANCHMSA-N 2 2 328.460 1.444 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C(C)C ZINC000624738722 450975621 /nfs/dbraw/zinc/97/56/21/450975621.db2.gz MJJKOTPATLMPHC-DLBZAZTESA-N 2 2 338.496 1.315 20 30 EDEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C(C)C ZINC000624738722 450975624 /nfs/dbraw/zinc/97/56/24/450975624.db2.gz MJJKOTPATLMPHC-DLBZAZTESA-N 2 2 338.496 1.315 20 30 EDEDLP C=CCCn1cc(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000653769044 452106280 /nfs/dbraw/zinc/10/62/80/452106280.db2.gz PQEKWMGVUDPANF-UHFFFAOYSA-N 2 2 346.523 1.846 20 30 EDEDLP C=CCCn1cc(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000653769044 452106286 /nfs/dbraw/zinc/10/62/86/452106286.db2.gz PQEKWMGVUDPANF-UHFFFAOYSA-N 2 2 346.523 1.846 20 30 EDEDLP C[NH+]=C(NCc1ccccc1-n1cc[nH+]c1)N(C)C[C@H]1CCOC1 ZINC000261602200 486018747 /nfs/dbraw/zinc/01/87/47/486018747.db2.gz CBQABXSZNXKYSV-OAHLLOKOSA-N 2 2 327.432 1.916 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCc2cccs2)cc1 ZINC000266999962 535994411 /nfs/dbraw/zinc/99/44/11/535994411.db2.gz GRLAJGVRZAGBMG-UHFFFAOYSA-N 2 2 346.456 1.763 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000744755935 579522822 /nfs/dbraw/zinc/52/28/22/579522822.db2.gz PBEXFSMGPUHKOI-INIZCTEOSA-N 2 2 328.416 1.223 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000744755935 579522823 /nfs/dbraw/zinc/52/28/23/579522823.db2.gz PBEXFSMGPUHKOI-INIZCTEOSA-N 2 2 328.416 1.223 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC2CCCCC2)cc1 ZINC000747839094 579660401 /nfs/dbraw/zinc/66/04/01/579660401.db2.gz XPOWIWKCMNQKAL-UHFFFAOYSA-N 2 2 332.448 1.834 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000748824086 579702617 /nfs/dbraw/zinc/70/26/17/579702617.db2.gz GGRHLQPFJGCHIB-ICSRJNTNSA-N 2 2 339.483 1.717 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000748824086 579702618 /nfs/dbraw/zinc/70/26/18/579702618.db2.gz GGRHLQPFJGCHIB-ICSRJNTNSA-N 2 2 339.483 1.717 20 30 EDEDLP N#Cc1cccn(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1=O ZINC000758222838 579977386 /nfs/dbraw/zinc/97/73/86/579977386.db2.gz LYBNLZYQTQIOCR-UHFFFAOYSA-N 2 2 330.432 1.112 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000780398342 580521393 /nfs/dbraw/zinc/52/13/93/580521393.db2.gz OGWMYCVSPRJDAE-CTDFXDFQSA-N 2 2 337.467 1.942 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000780398342 580521394 /nfs/dbraw/zinc/52/13/94/580521394.db2.gz OGWMYCVSPRJDAE-CTDFXDFQSA-N 2 2 337.467 1.942 20 30 EDEDLP C#Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000894874654 591453184 /nfs/dbraw/zinc/45/31/84/591453184.db2.gz VZWSDWRVVWDNAU-UHFFFAOYSA-N 2 2 327.472 1.554 20 30 EDEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000894874654 591453186 /nfs/dbraw/zinc/45/31/86/591453186.db2.gz VZWSDWRVVWDNAU-UHFFFAOYSA-N 2 2 327.472 1.554 20 30 EDEDLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000902176014 591932245 /nfs/dbraw/zinc/93/22/45/591932245.db2.gz JCTVIZDZSGXPLE-UHFFFAOYSA-N 2 2 336.411 1.452 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000900216680 591946887 /nfs/dbraw/zinc/94/68/87/591946887.db2.gz XVEUDHLEJJOMAV-OAHLLOKOSA-N 2 2 332.448 1.431 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819024280 593734430 /nfs/dbraw/zinc/73/44/30/593734430.db2.gz NIVVYGVTNYQLMB-KRWDZBQOSA-N 2 2 338.473 1.364 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000834494629 595143506 /nfs/dbraw/zinc/14/35/06/595143506.db2.gz ORVNGMATTUSADH-PMPSAXMXSA-N 2 2 330.457 1.004 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccccc3F)cn2)CC1 ZINC000835012480 595245636 /nfs/dbraw/zinc/24/56/36/595245636.db2.gz YIKJQTCZGNZWRD-UHFFFAOYSA-N 2 2 328.395 1.491 20 30 EDEDLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852871607 595590404 /nfs/dbraw/zinc/59/04/04/595590404.db2.gz UXPLFTWITHLGFF-UHFFFAOYSA-N 2 2 341.455 1.769 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009163 596006266 /nfs/dbraw/zinc/00/62/66/596006266.db2.gz KGXIQBVTFODNGW-MOPGFXCFSA-N 2 2 329.444 1.778 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852009163 596006269 /nfs/dbraw/zinc/00/62/69/596006269.db2.gz KGXIQBVTFODNGW-MOPGFXCFSA-N 2 2 329.444 1.778 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1 ZINC000870083989 596741752 /nfs/dbraw/zinc/74/17/52/596741752.db2.gz XXWKUUBOESDIDT-GOSISDBHSA-N 2 2 327.428 1.210 20 30 EDEDLP C=CCC1(O)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000888684324 597021102 /nfs/dbraw/zinc/02/11/02/597021102.db2.gz YFBKUKPZBVUSMG-UHFFFAOYSA-N 2 2 338.496 1.125 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC001031435074 697102462 /nfs/dbraw/zinc/10/24/62/697102462.db2.gz PEGRPZYJFQUHBW-UHFFFAOYSA-N 2 2 339.483 1.949 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943257910 698025713 /nfs/dbraw/zinc/02/57/13/698025713.db2.gz XNTGEUJJRDEUDC-SJORKVTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943257910 698025718 /nfs/dbraw/zinc/02/57/18/698025718.db2.gz XNTGEUJJRDEUDC-SJORKVTESA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031742382 698321392 /nfs/dbraw/zinc/32/13/92/698321392.db2.gz CYYRFDQQSUMPRN-KRWDZBQOSA-N 2 2 344.459 1.191 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2CC)C1 ZINC001031742382 698321393 /nfs/dbraw/zinc/32/13/93/698321393.db2.gz CYYRFDQQSUMPRN-KRWDZBQOSA-N 2 2 344.459 1.191 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996092414 702504230 /nfs/dbraw/zinc/50/42/30/702504230.db2.gz PRTRXEBDKOFNFK-IAGOWNOFSA-N 2 2 335.492 1.500 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996092414 702504232 /nfs/dbraw/zinc/50/42/32/702504232.db2.gz PRTRXEBDKOFNFK-IAGOWNOFSA-N 2 2 335.492 1.500 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000996715327 703010131 /nfs/dbraw/zinc/01/01/31/703010131.db2.gz MVVWOVQNWCGQNC-OAHLLOKOSA-N 2 2 343.456 1.843 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409409 703438910 /nfs/dbraw/zinc/43/89/10/703438910.db2.gz NZHUZUSZPCZTRR-VSZNYVQBSA-N 2 2 338.455 1.462 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409409 703438911 /nfs/dbraw/zinc/43/89/11/703438911.db2.gz NZHUZUSZPCZTRR-VSZNYVQBSA-N 2 2 338.455 1.462 20 30 EDEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999605053 707069619 /nfs/dbraw/zinc/06/96/19/707069619.db2.gz DJHMQKHYUGFPEJ-UHFFFAOYSA-N 2 2 327.226 1.440 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032827170 709291504 /nfs/dbraw/zinc/29/15/04/709291504.db2.gz OUWMMVFDCLOAML-BBWFWOEESA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032827170 709291506 /nfs/dbraw/zinc/29/15/06/709291506.db2.gz OUWMMVFDCLOAML-BBWFWOEESA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032827170 709291508 /nfs/dbraw/zinc/29/15/08/709291508.db2.gz OUWMMVFDCLOAML-BBWFWOEESA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032827170 709291510 /nfs/dbraw/zinc/29/15/10/709291510.db2.gz OUWMMVFDCLOAML-BBWFWOEESA-N 2 2 333.476 1.090 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001032837203 710187811 /nfs/dbraw/zinc/18/78/11/710187811.db2.gz JICQYNCVNAUUTM-HOJAQTOUSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001032837203 710187813 /nfs/dbraw/zinc/18/78/13/710187813.db2.gz JICQYNCVNAUUTM-HOJAQTOUSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032837203 710187815 /nfs/dbraw/zinc/18/78/15/710187815.db2.gz JICQYNCVNAUUTM-HOJAQTOUSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032837203 710187816 /nfs/dbraw/zinc/18/78/16/710187816.db2.gz JICQYNCVNAUUTM-HOJAQTOUSA-N 2 2 337.467 1.962 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475966 711855339 /nfs/dbraw/zinc/85/53/39/711855339.db2.gz VZQJTLXMOBDPMF-ROUUACIJSA-N 2 2 340.471 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001004475966 711855340 /nfs/dbraw/zinc/85/53/40/711855340.db2.gz VZQJTLXMOBDPMF-ROUUACIJSA-N 2 2 340.471 1.782 20 30 EDEDLP N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482317 711872675 /nfs/dbraw/zinc/87/26/75/711872675.db2.gz QQQJDSRTQVDRBP-KRWDZBQOSA-N 2 2 330.476 1.841 20 30 EDEDLP N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004482317 711872676 /nfs/dbraw/zinc/87/26/76/711872676.db2.gz QQQJDSRTQVDRBP-KRWDZBQOSA-N 2 2 330.476 1.841 20 30 EDEDLP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001004575295 712002169 /nfs/dbraw/zinc/00/21/69/712002169.db2.gz GVBUTAITJBZFRC-GOSISDBHSA-N 2 2 349.519 1.986 20 30 EDEDLP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001004575295 712002170 /nfs/dbraw/zinc/00/21/70/712002170.db2.gz GVBUTAITJBZFRC-GOSISDBHSA-N 2 2 349.519 1.986 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581955 712014560 /nfs/dbraw/zinc/01/45/60/712014560.db2.gz VCMAUVLGKLWYBU-CRAIPNDOSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004581955 712014561 /nfs/dbraw/zinc/01/45/61/712014561.db2.gz VCMAUVLGKLWYBU-CRAIPNDOSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581955 712014562 /nfs/dbraw/zinc/01/45/62/712014562.db2.gz VCMAUVLGKLWYBU-CRAIPNDOSA-N 2 2 328.460 1.925 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004581955 712014563 /nfs/dbraw/zinc/01/45/63/712014563.db2.gz VCMAUVLGKLWYBU-CRAIPNDOSA-N 2 2 328.460 1.925 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644558 712151330 /nfs/dbraw/zinc/15/13/30/712151330.db2.gz HMLAJEYTBNTUID-ZACQAIPSSA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644558 712151332 /nfs/dbraw/zinc/15/13/32/712151332.db2.gz HMLAJEYTBNTUID-ZACQAIPSSA-N 2 2 328.460 1.802 20 30 EDEDLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000328941189 539378523 /nfs/dbraw/zinc/37/85/23/539378523.db2.gz HYJZDMORGZEGNE-LBPRGKRZSA-N 2 2 328.482 1.431 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CCOC3)CC2)CC1 ZINC000329383622 539432322 /nfs/dbraw/zinc/43/23/22/539432322.db2.gz OYDLLQJVRBPVGL-SFHVURJKSA-N 2 2 338.496 1.475 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)CC1 ZINC000278663294 201306534 /nfs/dbraw/zinc/30/65/34/201306534.db2.gz PKHLMWAMYYMFMO-UHFFFAOYSA-N 2 2 325.416 1.913 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000155678617 205028457 /nfs/dbraw/zinc/02/84/57/205028457.db2.gz GMNFIODNGAOSCO-SFHVURJKSA-N 2 2 341.459 1.209 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000155678617 205028461 /nfs/dbraw/zinc/02/84/61/205028461.db2.gz GMNFIODNGAOSCO-SFHVURJKSA-N 2 2 341.459 1.209 20 30 EDEDLP C=CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000347004190 250052304 /nfs/dbraw/zinc/05/23/04/250052304.db2.gz NMTADQCBEHJQPP-UHFFFAOYSA-N 2 2 333.432 1.124 20 30 EDEDLP C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000347004190 250052308 /nfs/dbraw/zinc/05/23/08/250052308.db2.gz NMTADQCBEHJQPP-UHFFFAOYSA-N 2 2 333.432 1.124 20 30 EDEDLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(F)c1 ZINC000424128218 252133178 /nfs/dbraw/zinc/13/31/78/252133178.db2.gz BPCWTNPLFNIODD-GJZGRUSLSA-N 2 2 329.379 1.786 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2C)C2CC2)CC1 ZINC000490917864 255108537 /nfs/dbraw/zinc/10/85/37/255108537.db2.gz ZMAQLJAYNYZUSJ-HXUWFJFHSA-N 2 2 325.456 1.813 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000491635562 255135312 /nfs/dbraw/zinc/13/53/12/255135312.db2.gz RTWBLIGWPPLUOD-KRWDZBQOSA-N 2 2 349.500 1.175 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000491637019 255135644 /nfs/dbraw/zinc/13/56/44/255135644.db2.gz WKUNDASKHNQUEY-LJQANCHMSA-N 2 2 338.455 1.789 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000333750535 141373271 /nfs/dbraw/zinc/37/32/71/141373271.db2.gz YXSNQYYXDMHTDS-QGZVFWFLSA-N 2 2 327.432 1.137 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CCC#N)CC2CC2)C1 ZINC000081043617 441225459 /nfs/dbraw/zinc/22/54/59/441225459.db2.gz VEAPHRBNSGJBEP-QGZVFWFLSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCC#N)CC2CC2)C1 ZINC000081043617 441225464 /nfs/dbraw/zinc/22/54/64/441225464.db2.gz VEAPHRBNSGJBEP-QGZVFWFLSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCC#N)CC2CC2)C1 ZINC000081043617 441225467 /nfs/dbraw/zinc/22/54/67/441225467.db2.gz VEAPHRBNSGJBEP-QGZVFWFLSA-N 2 2 336.480 1.085 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCC#N)CC2CC2)C1 ZINC000081043617 441225470 /nfs/dbraw/zinc/22/54/70/441225470.db2.gz VEAPHRBNSGJBEP-QGZVFWFLSA-N 2 2 336.480 1.085 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000108932308 441482049 /nfs/dbraw/zinc/48/20/49/441482049.db2.gz JAQWSPTZEKXZDV-SFHVURJKSA-N 2 2 336.439 1.971 20 30 EDEDLP CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261937702 443174951 /nfs/dbraw/zinc/17/49/51/443174951.db2.gz CUHVEMRUTMEIFU-XQQFMLRXSA-N 2 2 347.385 1.655 20 30 EDEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1c(F)cccc1Cl ZINC000262585675 443201666 /nfs/dbraw/zinc/20/16/66/443201666.db2.gz SKJDTNQCVUUTNH-LBPRGKRZSA-N 2 2 342.846 1.817 20 30 EDEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1c(F)cccc1Cl ZINC000262585675 443201668 /nfs/dbraw/zinc/20/16/68/443201668.db2.gz SKJDTNQCVUUTNH-LBPRGKRZSA-N 2 2 342.846 1.817 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@@H]1CCOC1 ZINC000262694118 443208170 /nfs/dbraw/zinc/20/81/70/443208170.db2.gz DCCDAEHGXRRZJB-AWEZNQCLSA-N 2 2 328.420 1.277 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262697260 443208324 /nfs/dbraw/zinc/20/83/24/443208324.db2.gz ABXSEDOKQTUOSL-OAHLLOKOSA-N 2 2 347.438 1.345 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262697260 443208329 /nfs/dbraw/zinc/20/83/29/443208329.db2.gz ABXSEDOKQTUOSL-OAHLLOKOSA-N 2 2 347.438 1.345 20 30 EDEDLP C=CCN(CCOC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000191138059 443247447 /nfs/dbraw/zinc/24/74/47/443247447.db2.gz MNIQJEWIRHGNKZ-UHFFFAOYSA-N 2 2 338.496 1.389 20 30 EDEDLP CCCCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264133403 443251737 /nfs/dbraw/zinc/25/17/37/443251737.db2.gz YTUYOIQSFWKWLI-UHFFFAOYSA-N 2 2 333.480 1.522 20 30 EDEDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000191337692 443280990 /nfs/dbraw/zinc/28/09/90/443280990.db2.gz AAXCJZQIEGAEKY-LJQANCHMSA-N 2 2 345.491 1.124 20 30 EDEDLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000191337692 443280993 /nfs/dbraw/zinc/28/09/93/443280993.db2.gz AAXCJZQIEGAEKY-LJQANCHMSA-N 2 2 345.491 1.124 20 30 EDEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278743133 443421590 /nfs/dbraw/zinc/42/15/90/443421590.db2.gz VQJJERJRNRSYOU-SFHVURJKSA-N 2 2 342.447 1.261 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000293986061 444098392 /nfs/dbraw/zinc/09/83/92/444098392.db2.gz NKJBHIASWXVVAS-SFHVURJKSA-N 2 2 345.512 1.848 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000293986061 444098395 /nfs/dbraw/zinc/09/83/95/444098395.db2.gz NKJBHIASWXVVAS-SFHVURJKSA-N 2 2 345.512 1.848 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330011424 444810799 /nfs/dbraw/zinc/81/07/99/444810799.db2.gz IXPMSPPKVJHCGN-CYBMUJFWSA-N 2 2 339.403 1.739 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)C1=O ZINC000337207409 444986607 /nfs/dbraw/zinc/98/66/07/444986607.db2.gz ONTPXXRUWJNKIO-FGTMMUONSA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)C1=O ZINC000337207409 444986610 /nfs/dbraw/zinc/98/66/10/444986610.db2.gz ONTPXXRUWJNKIO-FGTMMUONSA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)C1=O ZINC000337207409 444986612 /nfs/dbraw/zinc/98/66/12/444986612.db2.gz ONTPXXRUWJNKIO-FGTMMUONSA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)C1=O ZINC000337207409 444986615 /nfs/dbraw/zinc/98/66/15/444986615.db2.gz ONTPXXRUWJNKIO-FGTMMUONSA-N 2 2 328.460 1.793 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961918 445202499 /nfs/dbraw/zinc/20/24/99/445202499.db2.gz BUNOVJFXMXNKOG-QZTJIDSGSA-N 2 2 341.459 1.846 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000330961918 445202500 /nfs/dbraw/zinc/20/25/00/445202500.db2.gz BUNOVJFXMXNKOG-QZTJIDSGSA-N 2 2 341.459 1.846 20 30 EDEDLP Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000348218027 445319391 /nfs/dbraw/zinc/31/93/91/445319391.db2.gz KIHGSPZCCXOOQE-UHFFFAOYSA-N 2 2 340.431 1.565 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113920 326202905 /nfs/dbraw/zinc/20/29/05/326202905.db2.gz PPZCEELVPVCSDF-ZACQAIPSSA-N 2 2 340.431 1.284 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2c(C#N)cnn2c1 ZINC000584113920 326202907 /nfs/dbraw/zinc/20/29/07/326202907.db2.gz PPZCEELVPVCSDF-ZACQAIPSSA-N 2 2 340.431 1.284 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839547 446377466 /nfs/dbraw/zinc/37/74/66/446377466.db2.gz BIDBOOIZYRFRSI-ZBFHGGJFSA-N 2 2 349.394 1.413 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000366839547 446377467 /nfs/dbraw/zinc/37/74/67/446377467.db2.gz BIDBOOIZYRFRSI-ZBFHGGJFSA-N 2 2 349.394 1.413 20 30 EDEDLP COc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000366902429 446405036 /nfs/dbraw/zinc/40/50/36/446405036.db2.gz ZKJKMCWQJJRNIM-GOSISDBHSA-N 2 2 344.459 1.063 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000371467667 446876036 /nfs/dbraw/zinc/87/60/36/446876036.db2.gz FRLIEQMJOHGFCM-QGZVFWFLSA-N 2 2 326.444 1.466 20 30 EDEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3(C#N)CCC3)CC2)CC1 ZINC000450398230 447477771 /nfs/dbraw/zinc/47/77/71/447477771.db2.gz XLLLPTUJDHJDBK-UHFFFAOYSA-N 2 2 332.492 1.946 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000490850607 447899029 /nfs/dbraw/zinc/89/90/29/447899029.db2.gz BTBASKQDDFDYMV-QXAKKESOSA-N 2 2 347.503 1.289 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000490850607 447899031 /nfs/dbraw/zinc/89/90/31/447899031.db2.gz BTBASKQDDFDYMV-QXAKKESOSA-N 2 2 347.503 1.289 20 30 EDEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946919 448231514 /nfs/dbraw/zinc/23/15/14/448231514.db2.gz LVDHKPXFXYUXGF-LJQANCHMSA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946919 448231519 /nfs/dbraw/zinc/23/15/19/448231519.db2.gz LVDHKPXFXYUXGF-LJQANCHMSA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946919 448231527 /nfs/dbraw/zinc/23/15/27/448231527.db2.gz LVDHKPXFXYUXGF-LJQANCHMSA-N 2 2 329.444 1.586 20 30 EDEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000514946919 448231531 /nfs/dbraw/zinc/23/15/31/448231531.db2.gz LVDHKPXFXYUXGF-LJQANCHMSA-N 2 2 329.444 1.586 20 30 EDEDLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528379896 448505369 /nfs/dbraw/zinc/50/53/69/448505369.db2.gz DKTZQSGDJKDHTC-GOSISDBHSA-N 2 2 347.459 1.077 20 30 EDEDLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528379896 448505375 /nfs/dbraw/zinc/50/53/75/448505375.db2.gz DKTZQSGDJKDHTC-GOSISDBHSA-N 2 2 347.459 1.077 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)CCO2 ZINC000592184027 448726732 /nfs/dbraw/zinc/72/67/32/448726732.db2.gz XNEQOVLZCNUCMC-UHFFFAOYSA-N 2 2 334.464 1.126 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CCO2 ZINC000592184027 448726736 /nfs/dbraw/zinc/72/67/36/448726736.db2.gz XNEQOVLZCNUCMC-UHFFFAOYSA-N 2 2 334.464 1.126 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905891 449244284 /nfs/dbraw/zinc/24/42/84/449244284.db2.gz XDKRGHRTPAUZBZ-NUJGCVRESA-N 2 2 338.496 1.472 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905891 449244290 /nfs/dbraw/zinc/24/42/90/449244290.db2.gz XDKRGHRTPAUZBZ-NUJGCVRESA-N 2 2 338.496 1.472 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000596047854 449336217 /nfs/dbraw/zinc/33/62/17/449336217.db2.gz SHSRFONNTQXRMA-KSSFIOAISA-N 2 2 342.443 1.728 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000600717813 449516054 /nfs/dbraw/zinc/51/60/54/449516054.db2.gz NUDLNRRLOWEZDQ-NUJGCVRESA-N 2 2 347.459 1.387 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2cccc(C#N)c2)nn1 ZINC000600975708 449627640 /nfs/dbraw/zinc/62/76/40/449627640.db2.gz BZBHHDUJVBRLAZ-UHFFFAOYSA-N 2 2 342.447 1.612 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2cccc(C#N)c2)nn1 ZINC000600975708 449627645 /nfs/dbraw/zinc/62/76/45/449627645.db2.gz BZBHHDUJVBRLAZ-UHFFFAOYSA-N 2 2 342.447 1.612 20 30 EDEDLP Cn1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599020103 449700104 /nfs/dbraw/zinc/70/01/04/449700104.db2.gz XCTLBODAUDBCQL-KRWDZBQOSA-N 2 2 325.416 1.115 20 30 EDEDLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599020103 449700110 /nfs/dbraw/zinc/70/01/10/449700110.db2.gz XCTLBODAUDBCQL-KRWDZBQOSA-N 2 2 325.416 1.115 20 30 EDEDLP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1CC#N ZINC000602849375 449855556 /nfs/dbraw/zinc/85/55/56/449855556.db2.gz LAGGIYUHSFMJHU-WSTZPKSXSA-N 2 2 342.487 1.542 20 30 EDEDLP C[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](C)N1CC#N ZINC000602849375 449855561 /nfs/dbraw/zinc/85/55/61/449855561.db2.gz LAGGIYUHSFMJHU-WSTZPKSXSA-N 2 2 342.487 1.542 20 30 EDEDLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1CC#N ZINC000602849375 449855563 /nfs/dbraw/zinc/85/55/63/449855563.db2.gz LAGGIYUHSFMJHU-WSTZPKSXSA-N 2 2 342.487 1.542 20 30 EDEDLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1CC#N ZINC000602849375 449855567 /nfs/dbraw/zinc/85/55/67/449855567.db2.gz LAGGIYUHSFMJHU-WSTZPKSXSA-N 2 2 342.487 1.542 20 30 EDEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1 ZINC000602894356 449902080 /nfs/dbraw/zinc/90/20/80/449902080.db2.gz ASDQEJGBVSHZQQ-UHFFFAOYSA-N 2 2 341.459 1.209 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157612 449970718 /nfs/dbraw/zinc/97/07/18/449970718.db2.gz KMRSESSDSICVKI-SJORKVTESA-N 2 2 326.400 1.832 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157612 449970722 /nfs/dbraw/zinc/97/07/22/449970722.db2.gz KMRSESSDSICVKI-SJORKVTESA-N 2 2 326.400 1.832 20 30 EDEDLP C=CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128984 452809292 /nfs/dbraw/zinc/80/92/92/452809292.db2.gz DMQZUIGFTCLNPD-CVEARBPZSA-N 2 2 338.496 1.387 20 30 EDEDLP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128984 452809300 /nfs/dbraw/zinc/80/93/00/452809300.db2.gz DMQZUIGFTCLNPD-CVEARBPZSA-N 2 2 338.496 1.387 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662668414 453382726 /nfs/dbraw/zinc/38/27/26/453382726.db2.gz MFIQMFCSBLCDRF-FQEVSTJZSA-N 2 2 343.471 1.833 20 30 EDEDLP C=C(C)COCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216464 486977794 /nfs/dbraw/zinc/97/77/94/486977794.db2.gz CLZFUHRBIGRMBY-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP C=C(C)COCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216464 486977799 /nfs/dbraw/zinc/97/77/99/486977799.db2.gz CLZFUHRBIGRMBY-QGZVFWFLSA-N 2 2 338.496 1.389 20 30 EDEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478469 487096490 /nfs/dbraw/zinc/09/64/90/487096490.db2.gz ZIDPATJJJLPCJJ-MOPGFXCFSA-N 2 2 344.503 1.853 20 30 EDEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000677478469 487096492 /nfs/dbraw/zinc/09/64/92/487096492.db2.gz ZIDPATJJJLPCJJ-MOPGFXCFSA-N 2 2 344.503 1.853 20 30 EDEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000731150873 578668673 /nfs/dbraw/zinc/66/86/73/578668673.db2.gz JDUDYYHLYTURQC-HIFRSBDPSA-N 2 2 327.436 1.697 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000748812663 579700753 /nfs/dbraw/zinc/70/07/53/579700753.db2.gz LTPFQMMPRXTMRE-UHFFFAOYSA-N 2 2 329.419 1.572 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000748818120 579701853 /nfs/dbraw/zinc/70/18/53/579701853.db2.gz VFYDSHHLYCPLFR-IBGZPJMESA-N 2 2 341.455 1.227 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000748818120 579701855 /nfs/dbraw/zinc/70/18/55/579701855.db2.gz VFYDSHHLYCPLFR-IBGZPJMESA-N 2 2 341.455 1.227 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc(F)c(F)c3)cn2)CC1 ZINC000755656967 579931850 /nfs/dbraw/zinc/93/18/50/579931850.db2.gz LAVXABHHXXRABO-UHFFFAOYSA-N 2 2 346.385 1.630 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2C)CC1 ZINC000773935634 580349686 /nfs/dbraw/zinc/34/96/86/580349686.db2.gz RPMGXLCABMXYMW-GOSISDBHSA-N 2 2 327.472 1.635 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccccc2C)CC1 ZINC000773935634 580349687 /nfs/dbraw/zinc/34/96/87/580349687.db2.gz RPMGXLCABMXYMW-GOSISDBHSA-N 2 2 327.472 1.635 20 30 EDEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000775786494 580400393 /nfs/dbraw/zinc/40/03/93/580400393.db2.gz XNSBBJBATYBTNR-MOPGFXCFSA-N 2 2 341.455 1.101 20 30 EDEDLP NC(=[NH+]OCCOCC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000782320336 580571863 /nfs/dbraw/zinc/57/18/63/580571863.db2.gz FRSQSOJUQAQLGY-UHFFFAOYSA-N 2 2 333.432 1.582 20 30 EDEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCn3cnc(C#N)n3)CC2)cc1 ZINC000797082465 580967860 /nfs/dbraw/zinc/96/78/60/580967860.db2.gz GHUOBXLJLKMJRS-UHFFFAOYSA-N 2 2 339.447 1.474 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661452 592270726 /nfs/dbraw/zinc/27/07/26/592270726.db2.gz QPNSFEDJWKFLEI-CVVKJMNTSA-N 2 2 344.503 1.991 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661452 592270731 /nfs/dbraw/zinc/27/07/31/592270731.db2.gz QPNSFEDJWKFLEI-CVVKJMNTSA-N 2 2 344.503 1.991 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)c2ccccc2OC)CC1 ZINC000805835639 593153004 /nfs/dbraw/zinc/15/30/04/593153004.db2.gz PNNDMEJVWDQKHQ-GOSISDBHSA-N 2 2 343.471 1.856 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)c2ccccc2OC)CC1 ZINC000805835639 593153005 /nfs/dbraw/zinc/15/30/05/593153005.db2.gz PNNDMEJVWDQKHQ-GOSISDBHSA-N 2 2 343.471 1.856 20 30 EDEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000818974447 593731564 /nfs/dbraw/zinc/73/15/64/593731564.db2.gz ABBIAJKZIBWHQK-GOSISDBHSA-N 2 2 339.443 1.448 20 30 EDEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000818974447 593731565 /nfs/dbraw/zinc/73/15/65/593731565.db2.gz ABBIAJKZIBWHQK-GOSISDBHSA-N 2 2 339.443 1.448 20 30 EDEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)n2)C1 ZINC000841017210 594840016 /nfs/dbraw/zinc/84/00/16/594840016.db2.gz TYMPVQRMDCXJFZ-BZPMIXESSA-N 2 2 348.476 1.608 20 30 EDEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)n2)C1 ZINC000841017210 594840017 /nfs/dbraw/zinc/84/00/17/594840017.db2.gz TYMPVQRMDCXJFZ-BZPMIXESSA-N 2 2 348.476 1.608 20 30 EDEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910032 595335969 /nfs/dbraw/zinc/33/59/69/595335969.db2.gz AUAMTFUQFDORLX-BEFAXECRSA-N 2 2 329.444 1.777 20 30 EDEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846910032 595335972 /nfs/dbraw/zinc/33/59/72/595335972.db2.gz AUAMTFUQFDORLX-BEFAXECRSA-N 2 2 329.444 1.777 20 30 EDEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000866666124 596285294 /nfs/dbraw/zinc/28/52/94/596285294.db2.gz NYSBSUDYQLUBDT-SQNIBIBYSA-N 2 2 343.427 1.601 20 30 EDEDLP Cc1c[nH+]ccc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000863157364 596510649 /nfs/dbraw/zinc/51/06/49/596510649.db2.gz LQJNALISJUHRRZ-UHFFFAOYSA-N 2 2 336.399 1.742 20 30 EDEDLP Cc1conc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729317 596679297 /nfs/dbraw/zinc/67/92/97/596679297.db2.gz JZBWHEXTXQLNEG-UHFFFAOYSA-N 2 2 330.388 1.652 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)CC1 ZINC000870149144 596773183 /nfs/dbraw/zinc/77/31/83/596773183.db2.gz DSYNBVUALSQDIT-LJQANCHMSA-N 2 2 341.455 1.513 20 30 EDEDLP CN1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)Cc2ccc[nH+]c21 ZINC000872314546 596878848 /nfs/dbraw/zinc/87/88/48/596878848.db2.gz IAYHXZAHONENHA-GOSISDBHSA-N 2 2 347.422 1.619 20 30 EDEDLP C#CC[NH+]1CCC(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000915487984 695843833 /nfs/dbraw/zinc/84/38/33/695843833.db2.gz IDQKMQCWZSTKLR-UHFFFAOYSA-N 2 2 330.432 1.604 20 30 EDEDLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994507637 696946157 /nfs/dbraw/zinc/94/61/57/696946157.db2.gz OAMAPLVPIXKDNN-MAUKXSAKSA-N 2 2 337.427 1.924 20 30 EDEDLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994507637 696946158 /nfs/dbraw/zinc/94/61/58/696946158.db2.gz OAMAPLVPIXKDNN-MAUKXSAKSA-N 2 2 337.427 1.924 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031742811 698328398 /nfs/dbraw/zinc/32/83/98/698328398.db2.gz SJAMCXHPQUZZNR-IBGZPJMESA-N 2 2 341.455 1.211 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031742811 698328399 /nfs/dbraw/zinc/32/83/99/698328399.db2.gz SJAMCXHPQUZZNR-IBGZPJMESA-N 2 2 341.455 1.211 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940158191 700290211 /nfs/dbraw/zinc/29/02/11/700290211.db2.gz UKYBNPQEYKRFEI-AWEZNQCLSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940158191 700290214 /nfs/dbraw/zinc/29/02/14/700290214.db2.gz UKYBNPQEYKRFEI-AWEZNQCLSA-N 2 2 347.488 1.106 20 30 EDEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940764579 700885633 /nfs/dbraw/zinc/88/56/33/700885633.db2.gz MIBIVBOMQSVPKX-MRXNPFEDSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940764579 700885634 /nfs/dbraw/zinc/88/56/34/700885634.db2.gz MIBIVBOMQSVPKX-MRXNPFEDSA-N 2 2 328.460 1.612 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000941141967 701202165 /nfs/dbraw/zinc/20/21/65/701202165.db2.gz MHLWUZOROCOQFO-KRWDZBQOSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000941141967 701202168 /nfs/dbraw/zinc/20/21/68/701202168.db2.gz MHLWUZOROCOQFO-KRWDZBQOSA-N 2 2 337.427 1.731 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001032130681 701846941 /nfs/dbraw/zinc/84/69/41/701846941.db2.gz YUFNYBWOUNTJMN-UHFFFAOYSA-N 2 2 342.418 1.341 20 30 EDEDLP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032447997 703631603 /nfs/dbraw/zinc/63/16/03/703631603.db2.gz ICXUWYNBTVZCDR-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032447997 703631604 /nfs/dbraw/zinc/63/16/04/703631604.db2.gz ICXUWYNBTVZCDR-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032447997 703631605 /nfs/dbraw/zinc/63/16/05/703631605.db2.gz ICXUWYNBTVZCDR-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032447997 703631606 /nfs/dbraw/zinc/63/16/06/703631606.db2.gz ICXUWYNBTVZCDR-OALUTQOASA-N 2 2 338.455 1.828 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942933 704795234 /nfs/dbraw/zinc/79/52/34/704795234.db2.gz DFLBRLYZIOOQSL-JSGCOSHPSA-N 2 2 344.297 1.817 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942933 704795236 /nfs/dbraw/zinc/79/52/36/704795236.db2.gz DFLBRLYZIOOQSL-JSGCOSHPSA-N 2 2 344.297 1.817 20 30 EDEDLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032611019 705580928 /nfs/dbraw/zinc/58/09/28/705580928.db2.gz BZSPRAKEBTUFDA-GBESFXJTSA-N 2 2 340.471 1.930 20 30 EDEDLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032611019 705580930 /nfs/dbraw/zinc/58/09/30/705580930.db2.gz BZSPRAKEBTUFDA-GBESFXJTSA-N 2 2 340.471 1.930 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998295710 705696974 /nfs/dbraw/zinc/69/69/74/705696974.db2.gz NOMIOWSYAOIUMY-OLZOCXBDSA-N 2 2 330.354 1.897 20 30 EDEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998308057 705720274 /nfs/dbraw/zinc/72/02/74/705720274.db2.gz XRRIGRSRZKGNQB-DGCLKSJQSA-N 2 2 328.338 1.263 20 30 EDEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998312190 705724684 /nfs/dbraw/zinc/72/46/84/705724684.db2.gz KWGPJMNKOVNOEO-RYUDHWBXSA-N 2 2 330.354 1.897 20 30 EDEDLP N#Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837695 707409087 /nfs/dbraw/zinc/40/90/87/707409087.db2.gz RTEVMNOCAOCNJZ-SFHVURJKSA-N 2 2 337.427 1.926 20 30 EDEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297038 707409815 /nfs/dbraw/zinc/40/98/15/707409815.db2.gz FNGMSONPTXWJEU-ROUUACIJSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297038 707409820 /nfs/dbraw/zinc/40/98/20/707409820.db2.gz FNGMSONPTXWJEU-ROUUACIJSA-N 2 2 335.492 1.596 20 30 EDEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297038 707409824 /nfs/dbraw/zinc/40/98/24/707409824.db2.gz FNGMSONPTXWJEU-ROUUACIJSA-N 2 2 335.492 1.596 20 30 EDEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000921748543 707968584 /nfs/dbraw/zinc/96/85/84/707968584.db2.gz XDPIYORVGMYJCJ-IBGZPJMESA-N 2 2 342.487 1.671 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3coc(C)n3)C2)CC1 ZINC001033686089 708500510 /nfs/dbraw/zinc/50/05/10/708500510.db2.gz ZVJSCEZSJFSWJY-SFHVURJKSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3coc(C)n3)C2)CC1 ZINC001033686089 708500513 /nfs/dbraw/zinc/50/05/13/708500513.db2.gz ZVJSCEZSJFSWJY-SFHVURJKSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840286 708872518 /nfs/dbraw/zinc/87/25/18/708872518.db2.gz ZTSTUIFSTYKRFT-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033840286 708872522 /nfs/dbraw/zinc/87/25/22/708872522.db2.gz ZTSTUIFSTYKRFT-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033840286 708872526 /nfs/dbraw/zinc/87/25/26/708872526.db2.gz ZTSTUIFSTYKRFT-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033840286 708872530 /nfs/dbraw/zinc/87/25/30/708872530.db2.gz ZTSTUIFSTYKRFT-WMLDXEAASA-N 2 2 329.448 1.346 20 30 EDEDLP C#CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034216557 709571458 /nfs/dbraw/zinc/57/14/58/709571458.db2.gz IRAQTQIUPMQXTA-WMLDXEAASA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034216557 709571460 /nfs/dbraw/zinc/57/14/60/709571460.db2.gz IRAQTQIUPMQXTA-WMLDXEAASA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216557 709571464 /nfs/dbraw/zinc/57/14/64/709571464.db2.gz IRAQTQIUPMQXTA-WMLDXEAASA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216557 709571465 /nfs/dbraw/zinc/57/14/65/709571465.db2.gz IRAQTQIUPMQXTA-WMLDXEAASA-N 2 2 329.448 1.394 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033154281 712164207 /nfs/dbraw/zinc/16/42/07/712164207.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033154281 712164209 /nfs/dbraw/zinc/16/42/09/712164209.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033154281 712164212 /nfs/dbraw/zinc/16/42/12/712164212.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033154281 712164214 /nfs/dbraw/zinc/16/42/14/712164214.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 2 340.471 1.520 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649364 712164769 /nfs/dbraw/zinc/16/47/69/712164769.db2.gz XCCPXEZYGBFPJM-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649364 712164771 /nfs/dbraw/zinc/16/47/71/712164771.db2.gz XCCPXEZYGBFPJM-OKZBNKHCSA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652456 712204841 /nfs/dbraw/zinc/20/48/41/712204841.db2.gz UOYFNMSZVFAHIC-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652456 712204842 /nfs/dbraw/zinc/20/48/42/712204842.db2.gz UOYFNMSZVFAHIC-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652529 712205918 /nfs/dbraw/zinc/20/59/18/712205918.db2.gz WJTBARXTGDNNQN-KSZLIROESA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652529 712205919 /nfs/dbraw/zinc/20/59/19/712205919.db2.gz WJTBARXTGDNNQN-KSZLIROESA-N 2 2 340.471 1.639 20 30 EDEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C2 ZINC000329306301 539427679 /nfs/dbraw/zinc/42/76/79/539427679.db2.gz YPTUSOFRYDXIEY-AWEZNQCLSA-N 2 2 348.495 1.061 20 30 EDEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C2 ZINC000329306301 539427680 /nfs/dbraw/zinc/42/76/80/539427680.db2.gz YPTUSOFRYDXIEY-AWEZNQCLSA-N 2 2 348.495 1.061 20 30 EDEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)s1 ZINC000329309858 539427698 /nfs/dbraw/zinc/42/76/98/539427698.db2.gz QQMHVWOSCAECMO-AWEZNQCLSA-N 2 2 349.504 1.720 20 30 EDEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)s1 ZINC000329309858 539427701 /nfs/dbraw/zinc/42/77/01/539427701.db2.gz QQMHVWOSCAECMO-AWEZNQCLSA-N 2 2 349.504 1.720 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266636 250287439 /nfs/dbraw/zinc/28/74/39/250287439.db2.gz LFUIMLJVGJMELD-QGZVFWFLSA-N 3 2 348.535 1.252 20 30 EDEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266636 250287442 /nfs/dbraw/zinc/28/74/42/250287442.db2.gz LFUIMLJVGJMELD-QGZVFWFLSA-N 3 2 348.535 1.252 20 30 EDEDLP CC1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c[nH+]2)CC1 ZINC000424127025 252131520 /nfs/dbraw/zinc/13/15/20/252131520.db2.gz CQHVPCUFVAPTJQ-INIZCTEOSA-N 2 2 329.448 1.955 20 30 EDEDLP C[NH+]1CCC(CNC(=O)c2ccc(C#N)nc2)([NH+]2CCCCC2)CC1 ZINC000363647421 153021745 /nfs/dbraw/zinc/02/17/45/153021745.db2.gz WDSOWCSSPAXPAI-UHFFFAOYSA-N 2 2 341.459 1.633 20 30 EDEDLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000378431360 158171623 /nfs/dbraw/zinc/17/16/23/158171623.db2.gz PGBCEIUDWUGALC-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000378431360 158171624 /nfs/dbraw/zinc/17/16/24/158171624.db2.gz PGBCEIUDWUGALC-QGZVFWFLSA-N 2 2 329.444 1.858 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408077693 158259130 /nfs/dbraw/zinc/25/91/30/158259130.db2.gz AYKWKMRAJMEKSQ-INIZCTEOSA-N 2 2 340.471 1.728 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000290295769 268187279 /nfs/dbraw/zinc/18/72/79/268187279.db2.gz NEQALEBOGCHIGG-UHFFFAOYSA-N 2 2 345.428 1.330 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089847701 441585897 /nfs/dbraw/zinc/58/58/97/441585897.db2.gz PZIAAWQPHRQWLP-UHFFFAOYSA-N 2 2 344.459 1.274 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C#N)ccc3OC)C2)CC1 ZINC000160052099 441855305 /nfs/dbraw/zinc/85/53/05/441855305.db2.gz XIEPSZASWYPDCV-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)C2)CC1 ZINC000160052099 441855318 /nfs/dbraw/zinc/85/53/18/441855318.db2.gz XIEPSZASWYPDCV-SFHVURJKSA-N 2 2 328.460 1.779 20 30 EDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652161 442764109 /nfs/dbraw/zinc/76/41/09/442764109.db2.gz RQMVUXBHEJKIOA-CBYDULDESA-N 2 2 332.492 1.799 20 30 EDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652161 442764110 /nfs/dbraw/zinc/76/41/10/442764110.db2.gz RQMVUXBHEJKIOA-CBYDULDESA-N 2 2 332.492 1.799 20 30 EDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193652161 442764111 /nfs/dbraw/zinc/76/41/11/442764111.db2.gz RQMVUXBHEJKIOA-CBYDULDESA-N 2 2 332.492 1.799 20 30 EDEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193652161 442764112 /nfs/dbraw/zinc/76/41/12/442764112.db2.gz RQMVUXBHEJKIOA-CBYDULDESA-N 2 2 332.492 1.799 20 30 EDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000182958460 442855071 /nfs/dbraw/zinc/85/50/71/442855071.db2.gz DZKHPMNZVLBDOC-UHFFFAOYSA-N 2 2 329.448 1.066 20 30 EDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000182958460 442855073 /nfs/dbraw/zinc/85/50/73/442855073.db2.gz DZKHPMNZVLBDOC-UHFFFAOYSA-N 2 2 329.448 1.066 20 30 EDEDLP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268927031 443148576 /nfs/dbraw/zinc/14/85/76/443148576.db2.gz PZQCGQXRALJXTA-MAUKXSAKSA-N 2 2 329.444 1.689 20 30 EDEDLP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268927031 443148579 /nfs/dbraw/zinc/14/85/79/443148579.db2.gz PZQCGQXRALJXTA-MAUKXSAKSA-N 2 2 329.444 1.689 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)Cc1ccon1 ZINC000261834254 443171854 /nfs/dbraw/zinc/17/18/54/443171854.db2.gz VXDVWNJFJCYOBL-UHFFFAOYSA-N 2 2 339.403 1.771 20 30 EDEDLP C[NH+]=C(NCCc1nc(C)no1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261935045 443174581 /nfs/dbraw/zinc/17/45/81/443174581.db2.gz CFQNLTNJERZJII-TZMCWYRMSA-N 2 2 331.424 1.276 20 30 EDEDLP CC[NH+]=C(NCCn1cncn1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261968345 443176617 /nfs/dbraw/zinc/17/66/17/443176617.db2.gz MBNJTGLCOVTXAW-CABCVRRESA-N 2 2 330.440 1.023 20 30 EDEDLP C[NH+]=C(NCC(=O)OC(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261990084 443178630 /nfs/dbraw/zinc/17/86/30/443178630.db2.gz RCOCMFNTWCPHJR-UONOGXRCSA-N 2 2 335.452 1.683 20 30 EDEDLP C=CC[N@@H+](CCOC)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082334 443237626 /nfs/dbraw/zinc/23/76/26/443237626.db2.gz DMYMABDWQIBRBL-MJGOQNOKSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[N@H+](CCOC)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191082334 443237631 /nfs/dbraw/zinc/23/76/31/443237631.db2.gz DMYMABDWQIBRBL-MJGOQNOKSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191082334 443237634 /nfs/dbraw/zinc/23/76/34/443237634.db2.gz DMYMABDWQIBRBL-MJGOQNOKSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[NH+](CCOC)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191082334 443237640 /nfs/dbraw/zinc/23/76/40/443237640.db2.gz DMYMABDWQIBRBL-MJGOQNOKSA-N 2 2 345.487 1.900 20 30 EDEDLP C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000191084712 443238796 /nfs/dbraw/zinc/23/87/96/443238796.db2.gz LRAVFYBSQGNNDG-UHFFFAOYSA-N 2 2 347.459 1.592 20 30 EDEDLP C=CC[N@H+](CCOC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000191084712 443238799 /nfs/dbraw/zinc/23/87/99/443238799.db2.gz LRAVFYBSQGNNDG-UHFFFAOYSA-N 2 2 347.459 1.592 20 30 EDEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCOC1 ZINC000262808111 443213425 /nfs/dbraw/zinc/21/34/25/443213425.db2.gz NSEOZWJZOJGUPF-KGLIPLIRSA-N 2 2 336.505 1.696 20 30 EDEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC[C@@H]1CCOC1 ZINC000262808111 443213429 /nfs/dbraw/zinc/21/34/29/443213429.db2.gz NSEOZWJZOJGUPF-KGLIPLIRSA-N 2 2 336.505 1.696 20 30 EDEDLP C[C@H](CC[NH+](C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000299329915 444020311 /nfs/dbraw/zinc/02/03/11/444020311.db2.gz BNGAFQIOMQJBBB-CYBMUJFWSA-N 2 2 341.459 1.986 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000296428391 444228803 /nfs/dbraw/zinc/22/88/03/444228803.db2.gz SDAIXCQYMHGIPV-UHFFFAOYSA-N 2 2 343.475 1.826 20 30 EDEDLP C[NH+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328797501 444356132 /nfs/dbraw/zinc/35/61/32/444356132.db2.gz VUUHXPOAIDGRCN-INIZCTEOSA-N 2 2 347.463 1.632 20 30 EDEDLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000581181172 322145356 /nfs/dbraw/zinc/14/53/56/322145356.db2.gz YNFUBEOZZVOLRC-UHFFFAOYSA-N 2 2 343.475 1.774 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000332509075 444517695 /nfs/dbraw/zinc/51/76/95/444517695.db2.gz LQBYQWGZCDOITH-UHFFFAOYSA-N 2 2 332.448 1.757 20 30 EDEDLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329668525 444672352 /nfs/dbraw/zinc/67/23/52/444672352.db2.gz RAONKGUQAGNVNQ-CVEARBPZSA-N 2 2 347.463 1.471 20 30 EDEDLP C[C@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC000329944140 444780788 /nfs/dbraw/zinc/78/07/88/444780788.db2.gz DYSKRPDJSPWFOA-UKRRQHHQSA-N 2 2 334.468 1.105 20 30 EDEDLP C[C@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC000329944140 444780791 /nfs/dbraw/zinc/78/07/91/444780791.db2.gz DYSKRPDJSPWFOA-UKRRQHHQSA-N 2 2 334.468 1.105 20 30 EDEDLP CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000343043932 445025270 /nfs/dbraw/zinc/02/52/70/445025270.db2.gz RGUHHJXUVVGBQN-GOSISDBHSA-N 2 2 328.460 1.933 20 30 EDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696650 445245228 /nfs/dbraw/zinc/24/52/28/445245228.db2.gz CALSBKWSWFZABK-AEFFLSMTSA-N 2 2 342.443 1.739 20 30 EDEDLP C=CCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363821468 445878518 /nfs/dbraw/zinc/87/85/18/445878518.db2.gz NLEBELBYRKADDK-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCCOCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363821468 445878522 /nfs/dbraw/zinc/87/85/22/445878522.db2.gz NLEBELBYRKADDK-KRWDZBQOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361995593 446136849 /nfs/dbraw/zinc/13/68/49/446136849.db2.gz HYAVOHWDIAEOEU-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361995593 446136852 /nfs/dbraw/zinc/13/68/52/446136852.db2.gz HYAVOHWDIAEOEU-UHFFFAOYSA-N 2 2 337.489 1.527 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373910430 446340209 /nfs/dbraw/zinc/34/02/09/446340209.db2.gz YYBUHNRBVNPOCQ-KBAYOESNSA-N 2 2 335.492 1.595 20 30 EDEDLP COc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000366902430 446404981 /nfs/dbraw/zinc/40/49/81/446404981.db2.gz ZKJKMCWQJJRNIM-SFHVURJKSA-N 2 2 344.459 1.063 20 30 EDEDLP C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368154537 446673793 /nfs/dbraw/zinc/67/37/93/446673793.db2.gz ZMQAHXXDBQCHRC-HXUWFJFHSA-N 2 2 339.483 1.837 20 30 EDEDLP C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368154537 446673798 /nfs/dbraw/zinc/67/37/98/446673798.db2.gz ZMQAHXXDBQCHRC-HXUWFJFHSA-N 2 2 339.483 1.837 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376063230 447245267 /nfs/dbraw/zinc/24/52/67/447245267.db2.gz YTQLJLFLOWSJSU-CQSZACIVSA-N 2 2 344.434 1.938 20 30 EDEDLP C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376063230 447245273 /nfs/dbraw/zinc/24/52/73/447245273.db2.gz YTQLJLFLOWSJSU-CQSZACIVSA-N 2 2 344.434 1.938 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369032861 447278352 /nfs/dbraw/zinc/27/83/52/447278352.db2.gz SAXSTJOCBMKFKA-AWEZNQCLSA-N 2 2 333.436 1.655 20 30 EDEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369032861 447278355 /nfs/dbraw/zinc/27/83/55/447278355.db2.gz SAXSTJOCBMKFKA-AWEZNQCLSA-N 2 2 333.436 1.655 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000569937250 447922676 /nfs/dbraw/zinc/92/26/76/447922676.db2.gz HZBMRYIERKVIDO-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000569937250 447922684 /nfs/dbraw/zinc/92/26/84/447922684.db2.gz HZBMRYIERKVIDO-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cn3)CC2)CC1 ZINC000569937250 447922691 /nfs/dbraw/zinc/92/26/91/447922691.db2.gz HZBMRYIERKVIDO-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)cn3)CC2)CC1 ZINC000569937250 447922698 /nfs/dbraw/zinc/92/26/98/447922698.db2.gz HZBMRYIERKVIDO-UHFFFAOYSA-N 2 2 327.476 1.945 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC000491126342 447932818 /nfs/dbraw/zinc/93/28/18/447932818.db2.gz NDTQSLJSQVQSOP-GOSISDBHSA-N 2 2 346.862 1.553 20 30 EDEDLP CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C#N ZINC000570498843 448026432 /nfs/dbraw/zinc/02/64/32/448026432.db2.gz JAZQQYDMKKIQOG-HNNXBMFYSA-N 2 2 331.420 1.452 20 30 EDEDLP CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C#N ZINC000570498843 448026438 /nfs/dbraw/zinc/02/64/38/448026438.db2.gz JAZQQYDMKKIQOG-HNNXBMFYSA-N 2 2 331.420 1.452 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)CC1 ZINC000564558033 448332531 /nfs/dbraw/zinc/33/25/31/448332531.db2.gz RYQJMJMKBNLCRF-UHFFFAOYSA-N 2 2 347.507 1.882 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)CC1 ZINC000564558033 448332537 /nfs/dbraw/zinc/33/25/37/448332537.db2.gz RYQJMJMKBNLCRF-UHFFFAOYSA-N 2 2 347.507 1.882 20 30 EDEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3CCN(CC#N)CC3)c2cc1C ZINC000591736378 448477516 /nfs/dbraw/zinc/47/75/16/448477516.db2.gz QHAOPODRSKBWED-KRWDZBQOSA-N 2 2 341.459 1.592 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000567989598 448794918 /nfs/dbraw/zinc/79/49/18/448794918.db2.gz KZWDBZKILCQPLS-KRWDZBQOSA-N 2 2 343.431 1.678 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000567989598 448794923 /nfs/dbraw/zinc/79/49/23/448794923.db2.gz KZWDBZKILCQPLS-KRWDZBQOSA-N 2 2 343.431 1.678 20 30 EDEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000592757046 448972738 /nfs/dbraw/zinc/97/27/38/448972738.db2.gz GGBQNCXTRZBWKX-MRXNPFEDSA-N 2 2 347.463 1.471 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000575116743 449039649 /nfs/dbraw/zinc/03/96/49/449039649.db2.gz LOWMFBPDYRTCJK-SFHVURJKSA-N 2 2 327.432 1.227 20 30 EDEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465683 449298337 /nfs/dbraw/zinc/29/83/37/449298337.db2.gz BRRRZCIEERQMEX-QAPCUYQASA-N 2 2 346.450 1.754 20 30 EDEDLP C=CCCSCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000596515227 449536974 /nfs/dbraw/zinc/53/69/74/449536974.db2.gz SVRMQUBCBRMJSR-UHFFFAOYSA-N 2 2 328.526 1.621 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615713 449495412 /nfs/dbraw/zinc/49/54/12/449495412.db2.gz CRYGRYMFIWNJSS-LSDHHAIUSA-N 2 2 332.448 1.901 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000600725081 449518886 /nfs/dbraw/zinc/51/88/86/449518886.db2.gz ASEPHQDUZOKZSN-QGZVFWFLSA-N 2 2 335.492 1.913 20 30 EDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000598729432 449567838 /nfs/dbraw/zinc/56/78/38/449567838.db2.gz JLTQCMXULAENOP-QZTJIDSGSA-N 2 2 331.460 1.296 20 30 EDEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000598729432 449567842 /nfs/dbraw/zinc/56/78/42/449567842.db2.gz JLTQCMXULAENOP-QZTJIDSGSA-N 2 2 331.460 1.296 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC000612129937 449575208 /nfs/dbraw/zinc/57/52/08/449575208.db2.gz KHWBATFYCCHSHL-YJBOKZPZSA-N 2 2 333.480 1.490 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@](C)(C#N)C3)C2)CC1 ZINC000612129937 449575212 /nfs/dbraw/zinc/57/52/12/449575212.db2.gz KHWBATFYCCHSHL-YJBOKZPZSA-N 2 2 333.480 1.490 20 30 EDEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594718965 449646060 /nfs/dbraw/zinc/64/60/60/449646060.db2.gz XTGYZMKXJQLXRU-DLBZAZTESA-N 2 2 331.460 1.955 20 30 EDEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594718965 449646063 /nfs/dbraw/zinc/64/60/63/449646063.db2.gz XTGYZMKXJQLXRU-DLBZAZTESA-N 2 2 331.460 1.955 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000609599841 450063486 /nfs/dbraw/zinc/06/34/86/450063486.db2.gz LFRNXZGKQLZDJF-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c(F)c1 ZINC000609599841 450063492 /nfs/dbraw/zinc/06/34/92/450063492.db2.gz LFRNXZGKQLZDJF-UHFFFAOYSA-N 2 2 346.450 1.584 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNc3ccc(C#N)cc3)C2)CC1 ZINC000609571802 450055901 /nfs/dbraw/zinc/05/59/01/450055901.db2.gz KWCNZDIZLTUVOW-QGZVFWFLSA-N 2 2 341.459 1.255 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNc3ccc(C#N)cc3)C2)CC1 ZINC000609571802 450055906 /nfs/dbraw/zinc/05/59/06/450055906.db2.gz KWCNZDIZLTUVOW-QGZVFWFLSA-N 2 2 341.459 1.255 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@](F)(C#N)C3)CC2)CC1 ZINC000615537338 450131518 /nfs/dbraw/zinc/13/15/18/450131518.db2.gz ZYXMSACEOIJCRQ-KRWDZBQOSA-N 2 2 337.443 1.192 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000662694909 453417207 /nfs/dbraw/zinc/41/72/07/453417207.db2.gz DGEYBTFQJPXRSQ-DLBZAZTESA-N 2 2 339.505 1.009 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660693417 453518942 /nfs/dbraw/zinc/51/89/42/453518942.db2.gz GPJYCGKUPDFOHK-QGZVFWFLSA-N 2 2 339.524 1.872 20 30 EDEDLP C=CC[NH+](CC=C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052869283 487356055 /nfs/dbraw/zinc/35/60/55/487356055.db2.gz PVNASBQUYIRMRE-UHFFFAOYSA-N 2 2 343.471 1.809 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000748816388 579701397 /nfs/dbraw/zinc/70/13/97/579701397.db2.gz IJQPWKNPALIVGI-UHFFFAOYSA-N 2 2 343.446 1.962 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000748818775 579701959 /nfs/dbraw/zinc/70/19/59/579701959.db2.gz YLCBFXFWNYLGBK-UHFFFAOYSA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000748818775 579701960 /nfs/dbraw/zinc/70/19/60/579701960.db2.gz YLCBFXFWNYLGBK-UHFFFAOYSA-N 2 2 343.446 1.610 20 30 EDEDLP C=CCNc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000771020760 580277273 /nfs/dbraw/zinc/27/72/73/580277273.db2.gz NHMINJWCMCGHQW-ZDUSSCGKSA-N 2 2 349.504 1.639 20 30 EDEDLP C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000771020760 580277274 /nfs/dbraw/zinc/27/72/74/580277274.db2.gz NHMINJWCMCGHQW-ZDUSSCGKSA-N 2 2 349.504 1.639 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2C)CC1 ZINC000773935636 580349632 /nfs/dbraw/zinc/34/96/32/580349632.db2.gz RPMGXLCABMXYMW-SFHVURJKSA-N 2 2 327.472 1.635 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccccc2C)CC1 ZINC000773935636 580349633 /nfs/dbraw/zinc/34/96/33/580349633.db2.gz RPMGXLCABMXYMW-SFHVURJKSA-N 2 2 327.472 1.635 20 30 EDEDLP C#C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000796009301 580943412 /nfs/dbraw/zinc/94/34/12/580943412.db2.gz CCTFEDWDSXCQRT-UXHICEINSA-N 2 2 327.472 1.969 20 30 EDEDLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896326284 591422416 /nfs/dbraw/zinc/42/24/16/591422416.db2.gz XFMFRBYOCNQEFS-OAHLLOKOSA-N 2 2 344.463 1.004 20 30 EDEDLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1CCC#N ZINC000896326284 591422418 /nfs/dbraw/zinc/42/24/18/591422418.db2.gz XFMFRBYOCNQEFS-OAHLLOKOSA-N 2 2 344.463 1.004 20 30 EDEDLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)c3ccc(C#N)cc3)nn2)CC1 ZINC000900579509 592057670 /nfs/dbraw/zinc/05/76/70/592057670.db2.gz AHRMCTUDJRDDRL-GOSISDBHSA-N 2 2 340.431 1.067 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000908110753 592325610 /nfs/dbraw/zinc/32/56/10/592325610.db2.gz USLMERBRJCQPII-MRXNPFEDSA-N 2 2 334.464 1.995 20 30 EDEDLP C#Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000809612211 593350039 /nfs/dbraw/zinc/35/00/39/593350039.db2.gz XFMCRDREIBTALQ-UHFFFAOYSA-N 2 2 348.450 1.891 20 30 EDEDLP N#CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000821757539 593931184 /nfs/dbraw/zinc/93/11/84/593931184.db2.gz WOPDIPWELFJVAH-UHFFFAOYSA-N 2 2 326.444 1.757 20 30 EDEDLP COc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000827532877 594226303 /nfs/dbraw/zinc/22/63/03/594226303.db2.gz QKRNSNQGIJXOLJ-UHFFFAOYSA-N 2 2 344.459 1.665 20 30 EDEDLP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC000827532877 594226305 /nfs/dbraw/zinc/22/63/05/594226305.db2.gz QKRNSNQGIJXOLJ-UHFFFAOYSA-N 2 2 344.459 1.665 20 30 EDEDLP CC1(C)C[C@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CO1 ZINC000853657650 595848392 /nfs/dbraw/zinc/84/83/92/595848392.db2.gz GZCXPDRSRWJSSC-INIZCTEOSA-N 2 2 333.432 1.723 20 30 EDEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cn(C(C)(C)C)nn2)cc1 ZINC000853673856 595852138 /nfs/dbraw/zinc/85/21/38/595852138.db2.gz KXPAIBBQVACKJS-UHFFFAOYSA-N 2 2 330.436 1.932 20 30 EDEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876743058 597317725 /nfs/dbraw/zinc/31/77/25/597317725.db2.gz XOMVRGQXASDVHK-HNNXBMFYSA-N 3 2 328.888 1.131 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000876801588 597345118 /nfs/dbraw/zinc/34/51/18/597345118.db2.gz FUUVXDLVRPSTFB-KBMXLJTQSA-N 2 2 332.835 1.532 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000876801588 597345123 /nfs/dbraw/zinc/34/51/23/597345123.db2.gz FUUVXDLVRPSTFB-KBMXLJTQSA-N 2 2 332.835 1.532 20 30 EDEDLP N#Cc1ccc(CC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000880253691 597884017 /nfs/dbraw/zinc/88/40/17/597884017.db2.gz YBIOUEKPKQXHBD-UHFFFAOYSA-N 2 2 340.471 1.907 20 30 EDEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000884313195 598062522 /nfs/dbraw/zinc/06/25/22/598062522.db2.gz YXDSGFVKBRAEAF-KRWDZBQOSA-N 2 2 345.443 1.710 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000917097958 696921381 /nfs/dbraw/zinc/92/13/81/696921381.db2.gz OEIJSUXPMZBBRT-INIZCTEOSA-N 2 2 338.496 1.437 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C\c2ccccc2)C1 ZINC001031741444 698316381 /nfs/dbraw/zinc/31/63/81/698316381.db2.gz ZBZZRGQZKYASRS-GFWYJJLOSA-N 2 2 337.467 1.845 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C\c2ccccc2)C1 ZINC001031741444 698316383 /nfs/dbraw/zinc/31/63/83/698316383.db2.gz ZBZZRGQZKYASRS-GFWYJJLOSA-N 2 2 337.467 1.845 20 30 EDEDLP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cc1 ZINC001031784449 699216590 /nfs/dbraw/zinc/21/65/90/699216590.db2.gz RXUUODNKOJVPCT-SFHVURJKSA-N 2 2 349.438 1.565 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995118177 701085851 /nfs/dbraw/zinc/08/58/51/701085851.db2.gz RZGBGWUJLQDTPV-CHWSQXEVSA-N 2 2 343.456 1.960 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808753 701200748 /nfs/dbraw/zinc/20/07/48/701200748.db2.gz QAMWVKDMQRTBNR-YJBOKZPZSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808753 701200751 /nfs/dbraw/zinc/20/07/51/701200751.db2.gz QAMWVKDMQRTBNR-YJBOKZPZSA-N 2 2 337.427 1.782 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)C(C)(C)C1 ZINC000995927500 702256701 /nfs/dbraw/zinc/25/67/01/702256701.db2.gz YAPKOSVPUFBQLS-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)C(C)(C)C1 ZINC000995927500 702256707 /nfs/dbraw/zinc/25/67/07/702256707.db2.gz YAPKOSVPUFBQLS-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001032415606 703492990 /nfs/dbraw/zinc/49/29/90/703492990.db2.gz BNTBNSWXRIXNCQ-ZQIUZPCESA-N 2 2 327.432 1.098 20 30 EDEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032415606 703492992 /nfs/dbraw/zinc/49/29/92/703492992.db2.gz BNTBNSWXRIXNCQ-ZQIUZPCESA-N 2 2 327.432 1.098 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032415606 703492993 /nfs/dbraw/zinc/49/29/93/703492993.db2.gz BNTBNSWXRIXNCQ-ZQIUZPCESA-N 2 2 327.432 1.098 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032415606 703492995 /nfs/dbraw/zinc/49/29/95/703492995.db2.gz BNTBNSWXRIXNCQ-ZQIUZPCESA-N 2 2 327.432 1.098 20 30 EDEDLP C#CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000921628257 703772331 /nfs/dbraw/zinc/77/23/31/703772331.db2.gz BZTNUSZVTZTOGO-MRXNPFEDSA-N 2 2 341.459 1.399 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccon3)CC2)CC1 ZINC001004201147 703928334 /nfs/dbraw/zinc/92/83/34/703928334.db2.gz KCDJRJWFYBKLOH-UHFFFAOYSA-N 2 2 330.432 1.100 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997698591 704574584 /nfs/dbraw/zinc/57/45/84/704574584.db2.gz YKKQLOFYWKYMQJ-LPHOPBHVSA-N 2 2 347.503 1.337 20 30 EDEDLP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997698591 704574585 /nfs/dbraw/zinc/57/45/85/704574585.db2.gz YKKQLOFYWKYMQJ-LPHOPBHVSA-N 2 2 347.503 1.337 20 30 EDEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050319 705250764 /nfs/dbraw/zinc/25/07/64/705250764.db2.gz GWPCISAESNCRLQ-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000998050319 705250767 /nfs/dbraw/zinc/25/07/67/705250767.db2.gz GWPCISAESNCRLQ-DLBZAZTESA-N 2 2 328.460 1.782 20 30 EDEDLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999687017 707239721 /nfs/dbraw/zinc/23/97/21/707239721.db2.gz DHIBFBVYEKHLHY-UHFFFAOYSA-N 2 2 337.427 1.613 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999745710 707345209 /nfs/dbraw/zinc/34/52/09/707345209.db2.gz AWRAHGLILGJHIX-UHFFFAOYSA-N 2 2 337.427 1.912 20 30 EDEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999837072 707473544 /nfs/dbraw/zinc/47/35/44/707473544.db2.gz PKESBXZFUUVCBK-CQSZACIVSA-N 2 2 343.456 1.987 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365528 707660192 /nfs/dbraw/zinc/66/01/92/707660192.db2.gz OPVIDUDAHMCFJU-QZTJIDSGSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365528 707660195 /nfs/dbraw/zinc/66/01/95/707660195.db2.gz OPVIDUDAHMCFJU-QZTJIDSGSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365528 707660199 /nfs/dbraw/zinc/66/01/99/707660199.db2.gz OPVIDUDAHMCFJU-QZTJIDSGSA-N 2 2 333.476 1.186 20 30 EDEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365528 707660200 /nfs/dbraw/zinc/66/02/00/707660200.db2.gz OPVIDUDAHMCFJU-QZTJIDSGSA-N 2 2 333.476 1.186 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217244 709573454 /nfs/dbraw/zinc/57/34/54/709573454.db2.gz PQXRKSTWHQVXDS-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217244 709573456 /nfs/dbraw/zinc/57/34/56/709573456.db2.gz PQXRKSTWHQVXDS-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217244 709573458 /nfs/dbraw/zinc/57/34/58/709573458.db2.gz PQXRKSTWHQVXDS-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217244 709573459 /nfs/dbraw/zinc/57/34/59/709573459.db2.gz PQXRKSTWHQVXDS-QAPCUYQASA-N 2 2 343.475 1.784 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2conc2C)C1 ZINC001034250834 709610590 /nfs/dbraw/zinc/61/05/90/709610590.db2.gz XFOSRSOGWIHBRT-ROUUACIJSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2conc2C)C1 ZINC001034250834 709610593 /nfs/dbraw/zinc/61/05/93/709610593.db2.gz XFOSRSOGWIHBRT-ROUUACIJSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2conc2C)C1 ZINC001034250834 709610595 /nfs/dbraw/zinc/61/05/95/709610595.db2.gz XFOSRSOGWIHBRT-ROUUACIJSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2conc2C)C1 ZINC001034250834 709610599 /nfs/dbraw/zinc/61/05/99/709610599.db2.gz XFOSRSOGWIHBRT-ROUUACIJSA-N 2 2 344.459 1.551 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311966 709757039 /nfs/dbraw/zinc/75/70/39/709757039.db2.gz LRPSBEJJOIBKLB-MRXNPFEDSA-N 2 2 328.460 1.756 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034311966 709757045 /nfs/dbraw/zinc/75/70/45/709757045.db2.gz LRPSBEJJOIBKLB-MRXNPFEDSA-N 2 2 328.460 1.756 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034363076 709879785 /nfs/dbraw/zinc/87/97/85/709879785.db2.gz KENLRPVOBWDOFZ-JKSUJKDBSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034363076 709879791 /nfs/dbraw/zinc/87/97/91/709879791.db2.gz KENLRPVOBWDOFZ-JKSUJKDBSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363076 709879798 /nfs/dbraw/zinc/87/97/98/709879798.db2.gz KENLRPVOBWDOFZ-JKSUJKDBSA-N 2 2 343.899 1.819 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034363076 709879803 /nfs/dbraw/zinc/87/98/03/709879803.db2.gz KENLRPVOBWDOFZ-JKSUJKDBSA-N 2 2 343.899 1.819 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001034751624 710980522 /nfs/dbraw/zinc/98/05/22/710980522.db2.gz CIIGIIFURIQKMH-QAQDUYKDSA-N 2 2 333.476 1.282 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001034796567 711128559 /nfs/dbraw/zinc/12/85/59/711128559.db2.gz CHTYDGKAWNAHFS-WKILWMFISA-N 2 2 331.485 1.756 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001034796567 711128562 /nfs/dbraw/zinc/12/85/62/711128562.db2.gz CHTYDGKAWNAHFS-WKILWMFISA-N 2 2 331.485 1.756 20 30 EDEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034920700 711379205 /nfs/dbraw/zinc/37/92/05/711379205.db2.gz RNODCQWBGRSYGJ-QGZVFWFLSA-N 2 2 337.427 1.995 20 30 EDEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262788256 249323336 /nfs/dbraw/zinc/32/33/36/249323336.db2.gz NDRIMSNHWDIJHM-RRFJBIMHSA-N 2 2 348.495 1.355 20 30 EDEDLP C[C@H](c1cnn(C)c1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1cnn(C)c1 ZINC000341922524 250003436 /nfs/dbraw/zinc/00/34/36/250003436.db2.gz OLAPDWLFYJHTCH-IYBDPMFKSA-N 2 2 328.464 1.843 20 30 EDEDLP C[C@H](c1cnn(C)c1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1cnn(C)c1 ZINC000341922524 250003437 /nfs/dbraw/zinc/00/34/37/250003437.db2.gz OLAPDWLFYJHTCH-IYBDPMFKSA-N 2 2 328.464 1.843 20 30 EDEDLP C[C@H](c1cnn(C)c1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000341922524 250003442 /nfs/dbraw/zinc/00/34/42/250003442.db2.gz OLAPDWLFYJHTCH-IYBDPMFKSA-N 2 2 328.464 1.843 20 30 EDEDLP C[C@H](c1cnn(C)c1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000341922524 250003445 /nfs/dbraw/zinc/00/34/45/250003445.db2.gz OLAPDWLFYJHTCH-IYBDPMFKSA-N 2 2 328.464 1.843 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361522833 250175330 /nfs/dbraw/zinc/17/53/30/250175330.db2.gz BUBOTWBSXYZJSP-HNNXBMFYSA-N 2 2 345.447 1.220 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000490917319 255108584 /nfs/dbraw/zinc/10/85/84/255108584.db2.gz XARKSZUWTWHMFU-KRWDZBQOSA-N 2 2 343.471 1.902 20 30 EDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645175 151098775 /nfs/dbraw/zinc/09/87/75/151098775.db2.gz IIDFBSVKTUDEOC-AWEZNQCLSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645175 151098776 /nfs/dbraw/zinc/09/87/76/151098776.db2.gz IIDFBSVKTUDEOC-AWEZNQCLSA-N 2 2 330.432 1.274 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000372424432 156383711 /nfs/dbraw/zinc/38/37/11/156383711.db2.gz FCFVMTLCZZMNRL-CRAIPNDOSA-N 2 2 337.427 1.954 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000372424432 156383713 /nfs/dbraw/zinc/38/37/13/156383713.db2.gz FCFVMTLCZZMNRL-CRAIPNDOSA-N 2 2 337.427 1.954 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C(=O)C1 ZINC000374737726 157383487 /nfs/dbraw/zinc/38/34/87/157383487.db2.gz UFKAWEGIAAFKRS-UHFFFAOYSA-N 2 2 330.407 1.436 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C(=O)C1 ZINC000374737726 157383489 /nfs/dbraw/zinc/38/34/89/157383489.db2.gz UFKAWEGIAAFKRS-UHFFFAOYSA-N 2 2 330.407 1.436 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282471926 268212093 /nfs/dbraw/zinc/21/20/93/268212093.db2.gz KSZOPOVTRFOWNS-MJGOQNOKSA-N 2 2 329.444 1.636 20 30 EDEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000282471926 268212095 /nfs/dbraw/zinc/21/20/95/268212095.db2.gz KSZOPOVTRFOWNS-MJGOQNOKSA-N 2 2 329.444 1.636 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330614894 276350567 /nfs/dbraw/zinc/35/05/67/276350567.db2.gz BTMRKQCYZAAYCB-DLBZAZTESA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330614894 276350569 /nfs/dbraw/zinc/35/05/69/276350569.db2.gz BTMRKQCYZAAYCB-DLBZAZTESA-N 2 2 349.523 1.095 20 30 EDEDLP CCc1nncn1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000547386709 306099704 /nfs/dbraw/zinc/09/97/04/306099704.db2.gz MPJFTUYKWDKYTE-UHFFFAOYSA-N 2 2 338.459 1.966 20 30 EDEDLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083174571 441353452 /nfs/dbraw/zinc/35/34/52/441353452.db2.gz JOCLUZAHYHBGNO-DZGCQCFKSA-N 2 2 332.473 1.999 20 30 EDEDLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083174571 441353454 /nfs/dbraw/zinc/35/34/54/441353454.db2.gz JOCLUZAHYHBGNO-DZGCQCFKSA-N 2 2 332.473 1.999 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083174571 441353455 /nfs/dbraw/zinc/35/34/55/441353455.db2.gz JOCLUZAHYHBGNO-DZGCQCFKSA-N 2 2 332.473 1.999 20 30 EDEDLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083174571 441353457 /nfs/dbraw/zinc/35/34/57/441353457.db2.gz JOCLUZAHYHBGNO-DZGCQCFKSA-N 2 2 332.473 1.999 20 30 EDEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158777031 441761362 /nfs/dbraw/zinc/76/13/62/441761362.db2.gz OVYZFYCOQVGVMT-CQSZACIVSA-N 2 2 327.860 1.016 20 30 EDEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1cc(Cl)cn1C ZINC000158777031 441761368 /nfs/dbraw/zinc/76/13/68/441761368.db2.gz OVYZFYCOQVGVMT-CQSZACIVSA-N 2 2 327.860 1.016 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000057138698 441789332 /nfs/dbraw/zinc/78/93/32/441789332.db2.gz CNMQBJJSWBQQBI-UHFFFAOYSA-N 2 2 326.444 1.071 20 30 EDEDLP C[NH+]1CCN(c2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cn2)CC1 ZINC000162928045 442131912 /nfs/dbraw/zinc/13/19/12/442131912.db2.gz QVITYEOBTBXHRA-UHFFFAOYSA-N 2 2 347.426 1.965 20 30 EDEDLP C=CCNC(=O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000181127466 442681439 /nfs/dbraw/zinc/68/14/39/442681439.db2.gz QQRRLCGBPBBVDQ-UHFFFAOYSA-N 2 2 336.867 1.484 20 30 EDEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000192649845 442672504 /nfs/dbraw/zinc/67/25/04/442672504.db2.gz NYTFGVPDBFMMEH-SJORKVTESA-N 2 2 328.464 1.661 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 ZINC000182000638 442726886 /nfs/dbraw/zinc/72/68/86/442726886.db2.gz IAWUUKINCAXDBY-SFHVURJKSA-N 2 2 338.455 1.876 20 30 EDEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000246924863 442822802 /nfs/dbraw/zinc/82/28/02/442822802.db2.gz SSRWWRBTUOUYKQ-DKSSEZFCSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1 ZINC000246924863 442822809 /nfs/dbraw/zinc/82/28/09/442822809.db2.gz SSRWWRBTUOUYKQ-DKSSEZFCSA-N 2 2 330.476 1.744 20 30 EDEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000246924863 442822812 /nfs/dbraw/zinc/82/28/12/442822812.db2.gz SSRWWRBTUOUYKQ-DKSSEZFCSA-N 2 2 330.476 1.744 20 30 EDEDLP COCCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183887344 442973201 /nfs/dbraw/zinc/97/32/01/442973201.db2.gz KNRTVMYDNNZXJC-CYBMUJFWSA-N 2 2 332.370 1.859 20 30 EDEDLP CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261937701 443174233 /nfs/dbraw/zinc/17/42/33/443174233.db2.gz CUHVEMRUTMEIFU-UPJWGTAASA-N 2 2 347.385 1.655 20 30 EDEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000261965340 443176607 /nfs/dbraw/zinc/17/66/07/443176607.db2.gz LJHGMXLIBJUWAB-UONOGXRCSA-N 2 2 345.451 1.530 20 30 EDEDLP CC[NH+]=C(NCC(C)(C)C(N)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262017169 443180566 /nfs/dbraw/zinc/18/05/66/443180566.db2.gz XYJBJYPVAFFVJK-KBPBESRZSA-N 2 2 334.468 1.243 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1C[N@H+](C)CCO1 ZINC000262697259 443208499 /nfs/dbraw/zinc/20/84/99/443208499.db2.gz ABXSEDOKQTUOSL-HNNXBMFYSA-N 2 2 347.438 1.345 20 30 EDEDLP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262697259 443208503 /nfs/dbraw/zinc/20/85/03/443208503.db2.gz ABXSEDOKQTUOSL-HNNXBMFYSA-N 2 2 347.438 1.345 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271740703 443511981 /nfs/dbraw/zinc/51/19/81/443511981.db2.gz WGHSPOJIMXNTGG-KRWDZBQOSA-N 2 2 336.524 1.533 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271740703 443511983 /nfs/dbraw/zinc/51/19/83/443511983.db2.gz WGHSPOJIMXNTGG-KRWDZBQOSA-N 2 2 336.524 1.533 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000271740703 443511987 /nfs/dbraw/zinc/51/19/87/443511987.db2.gz WGHSPOJIMXNTGG-KRWDZBQOSA-N 2 2 336.524 1.533 20 30 EDEDLP C=CCCO[C@@H](C)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275832887 443644412 /nfs/dbraw/zinc/64/44/12/443644412.db2.gz WYSZYCKWCLNOBM-JKSUJKDBSA-N 2 2 346.475 1.872 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C#N)ccn3)CC2)CC1 ZINC000287216332 443737737 /nfs/dbraw/zinc/73/77/37/443737737.db2.gz DEBAZPCGECFLLN-UHFFFAOYSA-N 2 2 327.432 1.242 20 30 EDEDLP CC1CCN(C(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000304286778 444245628 /nfs/dbraw/zinc/24/56/28/444245628.db2.gz ILPZZTUPPYMLMR-UHFFFAOYSA-N 3 2 335.540 1.983 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CCC2 ZINC000329853527 444741286 /nfs/dbraw/zinc/74/12/86/444741286.db2.gz SCDYZRJKCNVEQH-PMPSAXMXSA-N 2 2 349.479 1.370 20 30 EDEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)CCC2 ZINC000329853527 444741289 /nfs/dbraw/zinc/74/12/89/444741289.db2.gz SCDYZRJKCNVEQH-PMPSAXMXSA-N 2 2 349.479 1.370 20 30 EDEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](C)CC1 ZINC000330053947 444826549 /nfs/dbraw/zinc/82/65/49/444826549.db2.gz REOIELYIWFLBNM-INIZCTEOSA-N 2 2 345.491 1.638 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000369933661 446168772 /nfs/dbraw/zinc/16/87/72/446168772.db2.gz FLTOSFKEODXBEZ-UHFFFAOYSA-N 2 2 348.535 1.703 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000370065263 446180635 /nfs/dbraw/zinc/18/06/35/446180635.db2.gz YOHKSGPNIMTRHJ-HNNXBMFYSA-N 2 2 328.420 1.255 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000370065263 446180642 /nfs/dbraw/zinc/18/06/42/446180642.db2.gz YOHKSGPNIMTRHJ-HNNXBMFYSA-N 2 2 328.420 1.255 20 30 EDEDLP CN(CCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000459512660 447693410 /nfs/dbraw/zinc/69/34/10/447693410.db2.gz BLTRMKXJYDJUAO-UHFFFAOYSA-N 2 2 333.436 1.782 20 30 EDEDLP CN(CCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000459512660 447693416 /nfs/dbraw/zinc/69/34/16/447693416.db2.gz BLTRMKXJYDJUAO-UHFFFAOYSA-N 2 2 333.436 1.782 20 30 EDEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000491746261 448100187 /nfs/dbraw/zinc/10/01/87/448100187.db2.gz USGURZFORASBKE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000491746261 448100194 /nfs/dbraw/zinc/10/01/94/448100194.db2.gz USGURZFORASBKE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000491746261 448100200 /nfs/dbraw/zinc/10/02/00/448100200.db2.gz USGURZFORASBKE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#C[C@H](C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000491746261 448100203 /nfs/dbraw/zinc/10/02/03/448100203.db2.gz USGURZFORASBKE-SFHVURJKSA-N 2 2 327.472 1.983 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000491769109 448114742 /nfs/dbraw/zinc/11/47/42/448114742.db2.gz LWYDKGZUXFJDLA-UHFFFAOYSA-N 2 2 341.455 1.349 20 30 EDEDLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)C2 ZINC000526996164 448133943 /nfs/dbraw/zinc/13/39/43/448133943.db2.gz CIOZHJJXTGPDJI-CYBMUJFWSA-N 2 2 329.448 1.742 20 30 EDEDLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)CC2 ZINC000526996164 448133946 /nfs/dbraw/zinc/13/39/46/448133946.db2.gz CIOZHJJXTGPDJI-CYBMUJFWSA-N 2 2 329.448 1.742 20 30 EDEDLP C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCCC1 ZINC000514668146 448182571 /nfs/dbraw/zinc/18/25/71/448182571.db2.gz WJNAVXAVTSNUDK-AWEZNQCLSA-N 2 2 336.461 1.048 20 30 EDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000571533251 448169775 /nfs/dbraw/zinc/16/97/75/448169775.db2.gz LYDPDSVINJXHQL-AWEZNQCLSA-N 2 2 325.420 1.225 20 30 EDEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000571533251 448169779 /nfs/dbraw/zinc/16/97/79/448169779.db2.gz LYDPDSVINJXHQL-AWEZNQCLSA-N 2 2 325.420 1.225 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000563804077 448315165 /nfs/dbraw/zinc/31/51/65/448315165.db2.gz FRKPAPVMBKAVAF-UHFFFAOYSA-N 2 2 333.480 1.492 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000563804077 448315171 /nfs/dbraw/zinc/31/51/71/448315171.db2.gz FRKPAPVMBKAVAF-UHFFFAOYSA-N 2 2 333.480 1.492 20 30 EDEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000591770435 448487351 /nfs/dbraw/zinc/48/73/51/448487351.db2.gz GYEXZPYAZYFLOJ-UHFFFAOYSA-N 2 2 347.484 1.938 20 30 EDEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512275 448561944 /nfs/dbraw/zinc/56/19/44/448561944.db2.gz KHZFNRUHNQHNBC-FQEVSTJZSA-N 2 2 337.423 1.314 20 30 EDEDLP C[N@H+]1CC[C@]2(CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512275 448561948 /nfs/dbraw/zinc/56/19/48/448561948.db2.gz KHZFNRUHNQHNBC-FQEVSTJZSA-N 2 2 337.423 1.314 20 30 EDEDLP C[NH+]1CC[C@]2(CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512275 448561951 /nfs/dbraw/zinc/56/19/51/448561951.db2.gz KHZFNRUHNQHNBC-FQEVSTJZSA-N 2 2 337.423 1.314 20 30 EDEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512275 448561956 /nfs/dbraw/zinc/56/19/56/448561956.db2.gz KHZFNRUHNQHNBC-FQEVSTJZSA-N 2 2 337.423 1.314 20 30 EDEDLP C[C@H](c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734174 448547481 /nfs/dbraw/zinc/54/74/81/448547481.db2.gz WELBRPREDLBEPL-APWZRJJASA-N 2 2 346.475 1.698 20 30 EDEDLP C[C@H](c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734174 448547490 /nfs/dbraw/zinc/54/74/90/448547490.db2.gz WELBRPREDLBEPL-APWZRJJASA-N 2 2 346.475 1.698 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519538671 448781117 /nfs/dbraw/zinc/78/11/17/448781117.db2.gz IZLIKDHJSQQVBR-BQFCYCMXSA-N 2 2 325.497 1.087 20 30 EDEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000592757035 448972348 /nfs/dbraw/zinc/97/23/48/448972348.db2.gz GGBQNCXTRZBWKX-INIZCTEOSA-N 2 2 347.463 1.471 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000569214705 448980838 /nfs/dbraw/zinc/98/08/38/448980838.db2.gz ZHOUIILGWOLGSD-CQSZACIVSA-N 2 2 347.850 1.822 20 30 EDEDLP CN(C(=O)c1cnccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589837168 449065746 /nfs/dbraw/zinc/06/57/46/449065746.db2.gz GAYGJSYYAXUSNV-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP CN(C(=O)c1cnccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589837168 449065749 /nfs/dbraw/zinc/06/57/49/449065749.db2.gz GAYGJSYYAXUSNV-MRXNPFEDSA-N 2 2 327.432 1.194 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593348152 449238028 /nfs/dbraw/zinc/23/80/28/449238028.db2.gz JALNUKXLJYVMHO-OAHLLOKOSA-N 2 2 333.480 1.538 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593348152 449238041 /nfs/dbraw/zinc/23/80/41/449238041.db2.gz JALNUKXLJYVMHO-OAHLLOKOSA-N 2 2 333.480 1.538 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906788 449246766 /nfs/dbraw/zinc/24/67/66/449246766.db2.gz NQOVUWJUEVIMHO-QGZVFWFLSA-N 2 2 347.459 1.988 20 30 EDEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906788 449246767 /nfs/dbraw/zinc/24/67/67/449246767.db2.gz NQOVUWJUEVIMHO-QGZVFWFLSA-N 2 2 347.459 1.988 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713465 449512256 /nfs/dbraw/zinc/51/22/56/449512256.db2.gz ALLNOZLHUJPCFL-SJORKVTESA-N 2 2 339.480 1.004 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600713465 449512260 /nfs/dbraw/zinc/51/22/60/449512260.db2.gz ALLNOZLHUJPCFL-SJORKVTESA-N 2 2 339.480 1.004 20 30 EDEDLP COc1cc(C#N)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596837556 449676972 /nfs/dbraw/zinc/67/69/72/449676972.db2.gz GBOBIRDLZZLDCS-UHFFFAOYSA-N 2 2 333.436 1.572 20 30 EDEDLP COc1cc(C#N)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596837556 449676977 /nfs/dbraw/zinc/67/69/77/449676977.db2.gz GBOBIRDLZZLDCS-UHFFFAOYSA-N 2 2 333.436 1.572 20 30 EDEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602600755 449698497 /nfs/dbraw/zinc/69/84/97/449698497.db2.gz JIGKNRLFJLKDBO-AWEZNQCLSA-N 2 2 333.461 1.272 20 30 EDEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000603833321 450355630 /nfs/dbraw/zinc/35/56/30/450355630.db2.gz GCVVRHYOXVSWBD-IAGOWNOFSA-N 2 2 326.444 1.701 20 30 EDEDLP C=CCCn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000653525213 451996243 /nfs/dbraw/zinc/99/62/43/451996243.db2.gz GBTJHMKRPCWTRA-UHFFFAOYSA-N 2 2 333.480 1.789 20 30 EDEDLP C=CCCn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000653617180 452042340 /nfs/dbraw/zinc/04/23/40/452042340.db2.gz ZZCXLJUWMVYZSQ-UHFFFAOYSA-N 2 2 346.523 1.704 20 30 EDEDLP CN(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1(C#N)CCCCC1 ZINC000266950036 535988656 /nfs/dbraw/zinc/98/86/56/535988656.db2.gz UEKYPOUXHIJSNQ-UHFFFAOYSA-N 2 2 344.463 1.227 20 30 EDEDLP C#Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000742010653 579433047 /nfs/dbraw/zinc/43/30/47/579433047.db2.gz HXLCHNYBFIJBKJ-UHFFFAOYSA-N 2 2 340.471 1.743 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000748813121 579700788 /nfs/dbraw/zinc/70/07/88/579700788.db2.gz IUKKOZCHUAQQSW-GOSISDBHSA-N 2 2 327.428 1.307 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000748813121 579700790 /nfs/dbraw/zinc/70/07/90/579700790.db2.gz IUKKOZCHUAQQSW-GOSISDBHSA-N 2 2 327.428 1.307 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000748813989 579701087 /nfs/dbraw/zinc/70/10/87/579701087.db2.gz SGYWXITUVANIHN-HXUWFJFHSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000748813989 579701088 /nfs/dbraw/zinc/70/10/88/579701088.db2.gz SGYWXITUVANIHN-HXUWFJFHSA-N 2 2 339.483 1.861 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccccc3C)CC2)CC1 ZINC000748816386 579701498 /nfs/dbraw/zinc/70/14/98/579701498.db2.gz IJNPZTHJQJTUGM-UHFFFAOYSA-N 2 2 339.483 1.952 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3cc(F)ccc3F)cn2)CC1 ZINC000755650895 579931827 /nfs/dbraw/zinc/93/18/27/579931827.db2.gz OKIUUFMGQRQQDA-UHFFFAOYSA-N 2 2 346.385 1.630 20 30 EDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778954427 580476667 /nfs/dbraw/zinc/47/66/67/580476667.db2.gz WPZRYDALOVOXAA-GOSISDBHSA-N 2 2 344.459 1.342 20 30 EDEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778954427 580476668 /nfs/dbraw/zinc/47/66/68/580476668.db2.gz WPZRYDALOVOXAA-GOSISDBHSA-N 2 2 344.459 1.342 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC000784479852 580621952 /nfs/dbraw/zinc/62/19/52/580621952.db2.gz JQGPNBWVLGPHAG-LJQANCHMSA-N 2 2 325.456 1.562 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC000784479852 580621953 /nfs/dbraw/zinc/62/19/53/580621953.db2.gz JQGPNBWVLGPHAG-LJQANCHMSA-N 2 2 325.456 1.562 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)CC1 ZINC000784494376 580622358 /nfs/dbraw/zinc/62/23/58/580622358.db2.gz MLNTVILGEXCMIG-IBGZPJMESA-N 2 2 339.483 1.870 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)CC1 ZINC000784494376 580622359 /nfs/dbraw/zinc/62/23/59/580622359.db2.gz MLNTVILGEXCMIG-IBGZPJMESA-N 2 2 339.483 1.870 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000796616730 580958275 /nfs/dbraw/zinc/95/82/75/580958275.db2.gz BEKWMVJGOMDLEZ-PKOBYXMFSA-N 2 2 325.456 1.847 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000796616730 580958276 /nfs/dbraw/zinc/95/82/76/580958276.db2.gz BEKWMVJGOMDLEZ-PKOBYXMFSA-N 2 2 325.456 1.847 20 30 EDEDLP COc1ccccc1CO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000799118616 581017194 /nfs/dbraw/zinc/01/71/94/581017194.db2.gz NHVOVYBKZNJHSP-UHFFFAOYSA-N 2 2 341.415 1.788 20 30 EDEDLP C#CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CSC1 ZINC000895813811 591279142 /nfs/dbraw/zinc/27/91/42/591279142.db2.gz ILGPPGDEYOOSFL-UHFFFAOYSA-N 2 2 346.496 1.948 20 30 EDEDLP C#CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CSC1 ZINC000895813811 591279143 /nfs/dbraw/zinc/27/91/43/591279143.db2.gz ILGPPGDEYOOSFL-UHFFFAOYSA-N 2 2 346.496 1.948 20 30 EDEDLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000905525740 592560976 /nfs/dbraw/zinc/56/09/76/592560976.db2.gz OWZDPSAVPGUKKE-KRWDZBQOSA-N 2 2 326.400 1.549 20 30 EDEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)n2c1 ZINC000736639062 593022019 /nfs/dbraw/zinc/02/20/19/593022019.db2.gz HGCLFGNJGOPANR-SFHVURJKSA-N 2 2 339.443 1.939 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccc1F ZINC000827531864 594225928 /nfs/dbraw/zinc/22/59/28/594225928.db2.gz GIBAQKVDKOUFHJ-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)ccc1F ZINC000827531864 594225929 /nfs/dbraw/zinc/22/59/29/594225929.db2.gz GIBAQKVDKOUFHJ-UHFFFAOYSA-N 2 2 332.423 1.795 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(C)cc3)CCC2)CC1 ZINC000830820819 594487228 /nfs/dbraw/zinc/48/72/28/594487228.db2.gz OWHWYTBQVXXVGJ-UHFFFAOYSA-N 2 2 325.456 1.741 20 30 EDEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000834506138 595148795 /nfs/dbraw/zinc/14/87/95/595148795.db2.gz QANWKBXYFZMQIX-ZMSDIMECSA-N 2 2 341.459 1.721 20 30 EDEDLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cn2c1 ZINC000844195453 595299512 /nfs/dbraw/zinc/29/95/12/595299512.db2.gz TWXWOADBFHHTCM-TZMCWYRMSA-N 2 2 329.429 1.104 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000847082733 595361672 /nfs/dbraw/zinc/36/16/72/595361672.db2.gz YTVAJWDMASGZPY-KRWDZBQOSA-N 2 2 349.862 1.800 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000847082733 595361673 /nfs/dbraw/zinc/36/16/73/595361673.db2.gz YTVAJWDMASGZPY-KRWDZBQOSA-N 2 2 349.862 1.800 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)CCO)c1 ZINC000847082733 595361675 /nfs/dbraw/zinc/36/16/75/595361675.db2.gz YTVAJWDMASGZPY-KRWDZBQOSA-N 2 2 349.862 1.800 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)CCO)c1 ZINC000847082733 595361677 /nfs/dbraw/zinc/36/16/77/595361677.db2.gz YTVAJWDMASGZPY-KRWDZBQOSA-N 2 2 349.862 1.800 20 30 EDEDLP Cn1cc[nH+]c1[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccccc1F ZINC000852857327 595578840 /nfs/dbraw/zinc/57/88/40/595578840.db2.gz PNTZSCYNOMJKGD-GOSISDBHSA-N 2 2 340.402 1.768 20 30 EDEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc(C#N)c3)CC2)CC1 ZINC000868923418 596353030 /nfs/dbraw/zinc/35/30/30/596353030.db2.gz GSZZLKHYJYLKIG-UHFFFAOYSA-N 2 2 330.432 1.783 20 30 EDEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc(C#N)c3)CC2)CC1 ZINC000868923418 596353033 /nfs/dbraw/zinc/35/30/33/596353033.db2.gz GSZZLKHYJYLKIG-UHFFFAOYSA-N 2 2 330.432 1.783 20 30 EDEDLP CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1OC ZINC000863552080 596616222 /nfs/dbraw/zinc/61/62/22/596616222.db2.gz JRTJJWYAGGMXQI-IAGOWNOFSA-N 2 2 347.459 1.922 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000867974758 596641233 /nfs/dbraw/zinc/64/12/33/596641233.db2.gz DNDDEUCEPKMLBC-APWZRJJASA-N 2 2 347.422 1.535 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC[C@H]3CCCC3(F)F)cn2)CC1 ZINC000872404607 596899127 /nfs/dbraw/zinc/89/91/27/596899127.db2.gz ALVQTDUJGLQKEX-CQSZACIVSA-N 2 2 338.406 1.587 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876715557 597301878 /nfs/dbraw/zinc/30/18/78/597301878.db2.gz PALSAOJLVWYFJT-LJQANCHMSA-N 2 2 341.503 1.836 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715557 597301882 /nfs/dbraw/zinc/30/18/82/597301882.db2.gz PALSAOJLVWYFJT-LJQANCHMSA-N 2 2 341.503 1.836 20 30 EDEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000883131867 597661570 /nfs/dbraw/zinc/66/15/70/597661570.db2.gz WOJDCGWDKGVJPF-UHFFFAOYSA-N 2 2 326.444 1.529 20 30 EDEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000883131867 597661571 /nfs/dbraw/zinc/66/15/71/597661571.db2.gz WOJDCGWDKGVJPF-UHFFFAOYSA-N 2 2 326.444 1.529 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884049719 597978589 /nfs/dbraw/zinc/97/85/89/597978589.db2.gz BPGDUORLAYNCFK-HNNXBMFYSA-N 2 2 329.448 1.159 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884049719 597978590 /nfs/dbraw/zinc/97/85/90/597978590.db2.gz BPGDUORLAYNCFK-HNNXBMFYSA-N 2 2 329.448 1.159 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000884222780 598034861 /nfs/dbraw/zinc/03/48/61/598034861.db2.gz AHUPOJHNIZBPEF-RCCFBDPRSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000884222780 598034865 /nfs/dbraw/zinc/03/48/65/598034865.db2.gz AHUPOJHNIZBPEF-RCCFBDPRSA-N 2 2 348.491 1.027 20 30 EDEDLP C#CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000920603369 697450975 /nfs/dbraw/zinc/45/09/75/697450975.db2.gz DZRRDZULJMPZLA-UHFFFAOYSA-N 2 2 334.508 1.990 20 30 EDEDLP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943255846 698020934 /nfs/dbraw/zinc/02/09/34/698020934.db2.gz PSMFEHDAMNMEAS-IRXDYDNUSA-N 2 2 335.492 1.644 20 30 EDEDLP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943255846 698020938 /nfs/dbraw/zinc/02/09/38/698020938.db2.gz PSMFEHDAMNMEAS-IRXDYDNUSA-N 2 2 335.492 1.644 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031740847 698312583 /nfs/dbraw/zinc/31/25/83/698312583.db2.gz MAUBCPYSEGGGQR-SFHVURJKSA-N 2 2 326.444 1.036 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(C)c2)C1 ZINC001031740847 698312585 /nfs/dbraw/zinc/31/25/85/698312585.db2.gz MAUBCPYSEGGGQR-SFHVURJKSA-N 2 2 326.444 1.036 20 30 EDEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1(C)C ZINC000995811687 702060018 /nfs/dbraw/zinc/06/00/18/702060018.db2.gz IQBXUKITRMJUPF-ZACQAIPSSA-N 2 2 340.471 1.614 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnc(C)o2)C(C)(C)C1 ZINC000995922378 702246177 /nfs/dbraw/zinc/24/61/77/702246177.db2.gz KRKLUHFCLQKKPK-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnc(C)o2)C(C)(C)C1 ZINC000995922378 702246179 /nfs/dbraw/zinc/24/61/79/702246179.db2.gz KRKLUHFCLQKKPK-IRXDYDNUSA-N 2 2 344.459 1.407 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063227 702519624 /nfs/dbraw/zinc/51/96/24/702519624.db2.gz FCTPXWWTIDIRPX-WBVHZDCISA-N 2 2 328.460 1.612 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063227 702519631 /nfs/dbraw/zinc/51/96/31/702519631.db2.gz FCTPXWWTIDIRPX-WBVHZDCISA-N 2 2 328.460 1.612 20 30 EDEDLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996716212 703014822 /nfs/dbraw/zinc/01/48/22/703014822.db2.gz PWKOLBNNKMIJET-KRWDZBQOSA-N 2 2 337.427 1.782 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000997094645 703333595 /nfs/dbraw/zinc/33/35/95/703333595.db2.gz VJGAFQMXXMIZIB-KDOFPFPSSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000997094645 703333597 /nfs/dbraw/zinc/33/35/97/703333597.db2.gz VJGAFQMXXMIZIB-KDOFPFPSSA-N 2 2 343.475 1.640 20 30 EDEDLP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000948648504 705448470 /nfs/dbraw/zinc/44/84/70/705448470.db2.gz SMAUAMDQZDINRK-RBUKOAKNSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC000948648504 705448472 /nfs/dbraw/zinc/44/84/72/705448472.db2.gz SMAUAMDQZDINRK-RBUKOAKNSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948648504 705448475 /nfs/dbraw/zinc/44/84/75/705448475.db2.gz SMAUAMDQZDINRK-RBUKOAKNSA-N 2 2 349.519 1.824 20 30 EDEDLP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CCCC)CC1 ZINC000948648504 705448479 /nfs/dbraw/zinc/44/84/79/705448479.db2.gz SMAUAMDQZDINRK-RBUKOAKNSA-N 2 2 349.519 1.824 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033267119 707295903 /nfs/dbraw/zinc/29/59/03/707295903.db2.gz UEMZGZAQSZCUNE-AWEZNQCLSA-N 2 2 343.456 1.858 20 30 EDEDLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033267119 707295906 /nfs/dbraw/zinc/29/59/06/707295906.db2.gz UEMZGZAQSZCUNE-AWEZNQCLSA-N 2 2 343.456 1.858 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999747399 707347738 /nfs/dbraw/zinc/34/77/38/707347738.db2.gz NQHUVLUMJQJQNB-UHFFFAOYSA-N 2 2 343.456 1.973 20 30 EDEDLP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297365 707412959 /nfs/dbraw/zinc/41/29/59/707412959.db2.gz MEKYOEOGKLZBII-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297365 707412961 /nfs/dbraw/zinc/41/29/61/707412961.db2.gz MEKYOEOGKLZBII-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297365 707412963 /nfs/dbraw/zinc/41/29/63/707412963.db2.gz MEKYOEOGKLZBII-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297365 707412965 /nfs/dbraw/zinc/41/29/65/707412965.db2.gz MEKYOEOGKLZBII-MSOLQXFVSA-N 2 2 335.492 1.596 20 30 EDEDLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999914630 707556678 /nfs/dbraw/zinc/55/66/78/707556678.db2.gz DLRRLYYLOGEYBV-UHFFFAOYSA-N 2 2 341.390 1.673 20 30 EDEDLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000999917573 707559232 /nfs/dbraw/zinc/55/92/32/707559232.db2.gz USOZMZKFFQIUAE-UHFFFAOYSA-N 2 2 341.390 1.673 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652160 712202906 /nfs/dbraw/zinc/20/29/06/712202906.db2.gz NNAYOVMFCYNXOJ-BBWFWOEESA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652160 712202910 /nfs/dbraw/zinc/20/29/10/712202910.db2.gz NNAYOVMFCYNXOJ-BBWFWOEESA-N 2 2 328.460 1.802 20 30 EDEDLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329809030 539466128 /nfs/dbraw/zinc/46/61/28/539466128.db2.gz BYWBLWXQNGUZGH-UHFFFAOYSA-N 2 2 347.463 1.648 20 30 EDEDLP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000369672638 155133083 /nfs/dbraw/zinc/13/30/83/155133083.db2.gz QSJIVIPJPZEDBA-SFHVURJKSA-N 2 2 344.459 1.063 20 30 EDEDLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251546 151317912 /nfs/dbraw/zinc/31/79/12/151317912.db2.gz MKGMYDYCXOKUJO-IBGZPJMESA-N 3 2 328.460 1.179 20 30 EDEDLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251546 151317914 /nfs/dbraw/zinc/31/79/14/151317914.db2.gz MKGMYDYCXOKUJO-IBGZPJMESA-N 3 2 328.460 1.179 20 30 EDEDLP C[C@H]1C[N@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000282547345 267232810 /nfs/dbraw/zinc/23/28/10/267232810.db2.gz COPSVHIVQYJHOK-KRWDZBQOSA-N 2 2 328.460 1.397 20 30 EDEDLP C[C@H]1C[N@@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000282547345 267232811 /nfs/dbraw/zinc/23/28/11/267232811.db2.gz COPSVHIVQYJHOK-KRWDZBQOSA-N 2 2 328.460 1.397 20 30 EDEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000285537996 274573596 /nfs/dbraw/zinc/57/35/96/274573596.db2.gz DCBKAKTXIFASRI-UHFFFAOYSA-N 2 2 335.415 1.276 20 30 EDEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]Cc1cccc(-n3cc[nH+]c3)c1)C2 ZINC000554647272 306196508 /nfs/dbraw/zinc/19/65/08/306196508.db2.gz SGIRJOAIAGDSAW-HNNXBMFYSA-N 2 2 333.399 1.772 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378295394 447416081 /nfs/dbraw/zinc/41/60/81/447416081.db2.gz PTSYQINAQBUJAK-FUHWJXTLSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378295394 447416085 /nfs/dbraw/zinc/41/60/85/447416085.db2.gz PTSYQINAQBUJAK-FUHWJXTLSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378295394 447416090 /nfs/dbraw/zinc/41/60/90/447416090.db2.gz PTSYQINAQBUJAK-FUHWJXTLSA-N 2 2 349.523 1.095 20 30 EDEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378295394 447416076 /nfs/dbraw/zinc/41/60/76/447416076.db2.gz PTSYQINAQBUJAK-FUHWJXTLSA-N 2 2 349.523 1.095 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1cccc(C#N)c1 ZINC000160483060 441888525 /nfs/dbraw/zinc/88/85/25/441888525.db2.gz AENRPJUMQQBYIM-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1cccc(C#N)c1 ZINC000160483060 441888526 /nfs/dbraw/zinc/88/85/26/441888526.db2.gz AENRPJUMQQBYIM-UHFFFAOYSA-N 2 2 343.475 1.455 20 30 EDEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161346475 441988732 /nfs/dbraw/zinc/98/87/32/441988732.db2.gz YOFDUKOUUWRKRP-MRXNPFEDSA-N 2 2 341.459 1.935 20 30 EDEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269409973 443305997 /nfs/dbraw/zinc/30/59/97/443305997.db2.gz IWIQRGGGEFLNOA-QGZVFWFLSA-N 2 2 332.423 1.730 20 30 EDEDLP C#CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000271689731 443510193 /nfs/dbraw/zinc/51/01/93/443510193.db2.gz KAOKDVWQFYHOPS-SFHVURJKSA-N 2 2 343.471 1.568 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271234509 443497197 /nfs/dbraw/zinc/49/71/97/443497197.db2.gz CACDJLJCQQHGTQ-IBGZPJMESA-N 2 2 342.487 1.181 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271234509 443497199 /nfs/dbraw/zinc/49/71/99/443497199.db2.gz CACDJLJCQQHGTQ-IBGZPJMESA-N 2 2 342.487 1.181 20 30 EDEDLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299184721 443977552 /nfs/dbraw/zinc/97/75/52/443977552.db2.gz AEYNBMQAWSSNBA-CQSZACIVSA-N 2 2 329.429 1.944 20 30 EDEDLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000299184721 443977555 /nfs/dbraw/zinc/97/75/55/443977555.db2.gz AEYNBMQAWSSNBA-CQSZACIVSA-N 2 2 329.429 1.944 20 30 EDEDLP CC1CCN(C(=[NH2+])NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000303257230 444236059 /nfs/dbraw/zinc/23/60/59/444236059.db2.gz JDQDHJNNNYBGEE-UHFFFAOYSA-N 2 2 347.482 1.994 20 30 EDEDLP COc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000328781999 444351345 /nfs/dbraw/zinc/35/13/45/444351345.db2.gz JOLNMBOMIAXVCY-UHFFFAOYSA-N 2 2 349.479 1.684 20 30 EDEDLP Cc1cc(C)c(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(C)[nH+]1 ZINC000331331274 444466307 /nfs/dbraw/zinc/46/63/07/444466307.db2.gz OPOUMBOBJNBNOV-UHFFFAOYSA-N 2 2 347.463 1.885 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331525693 444475574 /nfs/dbraw/zinc/47/55/74/444475574.db2.gz WHTLSBHGOVIOCY-HOTGVXAUSA-N 2 2 327.432 1.402 20 30 EDEDLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000580064520 322003540 /nfs/dbraw/zinc/00/35/40/322003540.db2.gz IJQOFLIHBUYETB-CQSZACIVSA-N 2 2 337.489 1.898 20 30 EDEDLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329547752 444624899 /nfs/dbraw/zinc/62/48/99/444624899.db2.gz OQBUHAKUTUMMSO-GOEBONIOSA-N 2 2 325.453 1.307 20 30 EDEDLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000329547752 444624901 /nfs/dbraw/zinc/62/49/01/444624901.db2.gz OQBUHAKUTUMMSO-GOEBONIOSA-N 2 2 325.453 1.307 20 30 EDEDLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329547752 444624903 /nfs/dbraw/zinc/62/49/03/444624903.db2.gz OQBUHAKUTUMMSO-GOEBONIOSA-N 2 2 325.453 1.307 20 30 EDEDLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329547752 444624906 /nfs/dbraw/zinc/62/49/06/444624906.db2.gz OQBUHAKUTUMMSO-GOEBONIOSA-N 2 2 325.453 1.307 20 30 EDEDLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000329792960 444718803 /nfs/dbraw/zinc/71/88/03/444718803.db2.gz AOVYDAIUOYTDOD-CQSZACIVSA-N 2 2 348.495 1.543 20 30 EDEDLP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000365958533 445927582 /nfs/dbraw/zinc/92/75/82/445927582.db2.gz BYJQAHKCFXFOHK-MRXNPFEDSA-N 2 2 332.492 1.742 20 30 EDEDLP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000365958533 445927588 /nfs/dbraw/zinc/92/75/88/445927588.db2.gz BYJQAHKCFXFOHK-MRXNPFEDSA-N 2 2 332.492 1.742 20 30 EDEDLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1 ZINC000376483741 446526346 /nfs/dbraw/zinc/52/63/46/446526346.db2.gz JOQWABZJGOSFJZ-HNAYVOBHSA-N 2 2 341.459 1.932 20 30 EDEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358210 446867688 /nfs/dbraw/zinc/86/76/88/446867688.db2.gz SONLDTDCBKWNLK-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358210 446867691 /nfs/dbraw/zinc/86/76/91/446867691.db2.gz SONLDTDCBKWNLK-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358210 446867693 /nfs/dbraw/zinc/86/76/93/446867693.db2.gz SONLDTDCBKWNLK-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCc1cccc(C#N)c1 ZINC000441358210 446867696 /nfs/dbraw/zinc/86/76/96/446867696.db2.gz SONLDTDCBKWNLK-SFHVURJKSA-N 2 2 328.460 1.981 20 30 EDEDLP N#C[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000442784920 446966717 /nfs/dbraw/zinc/96/67/17/446966717.db2.gz UQNXTKHDUVPRDR-JKSUJKDBSA-N 2 2 327.432 1.402 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000490891385 447904296 /nfs/dbraw/zinc/90/42/96/447904296.db2.gz FARJMKBIKCAASJ-UHFFFAOYSA-N 2 2 348.450 1.425 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000490891385 447904303 /nfs/dbraw/zinc/90/43/03/447904303.db2.gz FARJMKBIKCAASJ-UHFFFAOYSA-N 2 2 348.450 1.425 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000491516368 448050117 /nfs/dbraw/zinc/05/01/17/448050117.db2.gz SMTPYTPBRAWHMT-CYBMUJFWSA-N 2 2 337.826 1.907 20 30 EDEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000582900717 448373513 /nfs/dbraw/zinc/37/35/13/448373513.db2.gz BGRRQDPXNHFWAD-DLBZAZTESA-N 2 2 327.428 1.956 20 30 EDEDLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592217897 448753160 /nfs/dbraw/zinc/75/31/60/448753160.db2.gz XHBCEKJDADEKSH-HUUCEWRRSA-N 2 2 329.448 1.511 20 30 EDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000600739702 449527401 /nfs/dbraw/zinc/52/74/01/449527401.db2.gz TYTJTUVXHOKSSM-ROUUACIJSA-N 2 2 329.444 1.050 20 30 EDEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000600739702 449527405 /nfs/dbraw/zinc/52/74/05/449527405.db2.gz TYTJTUVXHOKSSM-ROUUACIJSA-N 2 2 329.444 1.050 20 30 EDEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000598679855 449538533 /nfs/dbraw/zinc/53/85/33/449538533.db2.gz OEVOKQBMXKZWDC-MSOLQXFVSA-N 2 2 339.443 1.278 20 30 EDEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000598679855 449538535 /nfs/dbraw/zinc/53/85/35/449538535.db2.gz OEVOKQBMXKZWDC-MSOLQXFVSA-N 2 2 339.443 1.278 20 30 EDEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594718970 449646138 /nfs/dbraw/zinc/64/61/38/449646138.db2.gz XTGYZMKXJQLXRU-IAGOWNOFSA-N 2 2 331.460 1.955 20 30 EDEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594718970 449646140 /nfs/dbraw/zinc/64/61/40/449646140.db2.gz XTGYZMKXJQLXRU-IAGOWNOFSA-N 2 2 331.460 1.955 20 30 EDEDLP CO[C@]1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOC1 ZINC000602704742 449760747 /nfs/dbraw/zinc/76/07/47/449760747.db2.gz HSMJEQQZDKDUKI-IBGZPJMESA-N 2 2 329.444 1.918 20 30 EDEDLP C[NH+]1CCC(CNC(=O)NCC2(C#N)CC2)([NH+]2CCCCC2)CC1 ZINC000619529842 450499664 /nfs/dbraw/zinc/49/96/64/450499664.db2.gz NKGSPFSQXADWIO-UHFFFAOYSA-N 2 2 333.480 1.540 20 30 EDEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626086571 450572628 /nfs/dbraw/zinc/57/26/28/450572628.db2.gz HEKJEJCZAVVOGM-UHFFFAOYSA-N 2 2 337.508 1.988 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471701 453332832 /nfs/dbraw/zinc/33/28/32/453332832.db2.gz CTBZWBXCUBSENJ-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471701 453332839 /nfs/dbraw/zinc/33/28/39/453332839.db2.gz CTBZWBXCUBSENJ-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)N(C)C[C@@H]1CCOC1 ZINC000261603957 486019010 /nfs/dbraw/zinc/01/90/10/486019010.db2.gz CVXZVDFAZSACDD-HNNXBMFYSA-N 2 2 329.448 1.888 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000734144693 578798762 /nfs/dbraw/zinc/79/87/62/578798762.db2.gz WMBBUJNNDBBTMG-AEFFLSMTSA-N 2 2 326.444 1.384 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000734144693 578798763 /nfs/dbraw/zinc/79/87/63/578798763.db2.gz WMBBUJNNDBBTMG-AEFFLSMTSA-N 2 2 326.444 1.384 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000764509137 580122262 /nfs/dbraw/zinc/12/22/62/580122262.db2.gz RDPJIDOXTPLZFF-GOSISDBHSA-N 2 2 331.460 1.164 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000768946707 580224820 /nfs/dbraw/zinc/22/48/20/580224820.db2.gz QRTSHXQZLUEBQQ-HOTGVXAUSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000768946707 580224821 /nfs/dbraw/zinc/22/48/21/580224821.db2.gz QRTSHXQZLUEBQQ-HOTGVXAUSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000768946707 580224822 /nfs/dbraw/zinc/22/48/22/580224822.db2.gz QRTSHXQZLUEBQQ-HOTGVXAUSA-N 2 2 330.432 1.113 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000768946707 580224823 /nfs/dbraw/zinc/22/48/23/580224823.db2.gz QRTSHXQZLUEBQQ-HOTGVXAUSA-N 2 2 330.432 1.113 20 30 EDEDLP C[C@@H]1C[C@@H](CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029504 580592003 /nfs/dbraw/zinc/59/20/03/580592003.db2.gz NXWCURALMGTATD-WBVHZDCISA-N 2 2 347.459 1.971 20 30 EDEDLP CCC1CC(=O)C(=CNNc2ccc(-n3cc[nH+]c3)n[nH+]2)C(=O)C1 ZINC000794698321 580903281 /nfs/dbraw/zinc/90/32/81/580903281.db2.gz ITHJYRHEYJHWLO-UHFFFAOYSA-N 2 2 326.360 1.421 20 30 EDEDLP N#Cc1ccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c(F)c1 ZINC000796517069 580955533 /nfs/dbraw/zinc/95/55/33/580955533.db2.gz SGHOBRNZYVMYLW-INIZCTEOSA-N 2 2 347.434 1.997 20 30 EDEDLP C#CC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000895385715 591739831 /nfs/dbraw/zinc/73/98/31/591739831.db2.gz JPZRIRBYQQAIBH-UHFFFAOYSA-N 2 2 344.455 1.358 20 30 EDEDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(C#N)ccn1 ZINC000902750292 592056969 /nfs/dbraw/zinc/05/69/69/592056969.db2.gz DNWALIXXNUMSHH-OAHLLOKOSA-N 2 2 336.443 1.951 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000730276487 593108355 /nfs/dbraw/zinc/10/83/55/593108355.db2.gz MEENBMWMZBHOLK-INIZCTEOSA-N 2 2 335.517 1.562 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000730276487 593108356 /nfs/dbraw/zinc/10/83/56/593108356.db2.gz MEENBMWMZBHOLK-INIZCTEOSA-N 2 2 335.517 1.562 20 30 EDEDLP C[C@@H](C#N)OCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000802730713 593273241 /nfs/dbraw/zinc/27/32/41/593273241.db2.gz YTYYRBAMQLLSTD-AWEZNQCLSA-N 2 2 332.404 1.084 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(CC)cc3)C2)CC1 ZINC000814643547 593599235 /nfs/dbraw/zinc/59/92/35/593599235.db2.gz ZTJSGZCMDTUJIR-FQEVSTJZSA-N 2 2 339.483 1.816 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(CC)cc3)C2)CC1 ZINC000814643547 593599237 /nfs/dbraw/zinc/59/92/37/593599237.db2.gz ZTJSGZCMDTUJIR-FQEVSTJZSA-N 2 2 339.483 1.816 20 30 EDEDLP CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841816683 594957739 /nfs/dbraw/zinc/95/77/39/594957739.db2.gz DFUXTELQMAZGOI-HOTGVXAUSA-N 2 2 345.447 1.152 20 30 EDEDLP CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841816683 594957742 /nfs/dbraw/zinc/95/77/42/594957742.db2.gz DFUXTELQMAZGOI-HOTGVXAUSA-N 2 2 345.447 1.152 20 30 EDEDLP C#CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000853911415 595919598 /nfs/dbraw/zinc/91/95/98/595919598.db2.gz SQDWASFLBCHNDZ-GOSISDBHSA-N 2 2 330.476 1.934 20 30 EDEDLP C#CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000853911415 595919599 /nfs/dbraw/zinc/91/95/99/595919599.db2.gz SQDWASFLBCHNDZ-GOSISDBHSA-N 2 2 330.476 1.934 20 30 EDEDLP CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OC ZINC000863552078 596615991 /nfs/dbraw/zinc/61/59/91/596615991.db2.gz JRTJJWYAGGMXQI-DLBZAZTESA-N 2 2 347.459 1.922 20 30 EDEDLP Cc1cc([N-][NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)nc(N)[nH+]1 ZINC000872420661 596902068 /nfs/dbraw/zinc/90/20/68/596902068.db2.gz KQVXVJBSUDYMLK-UHFFFAOYSA-N 2 2 325.420 1.565 20 30 EDEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCNc1cccc[nH+]1 ZINC000876727455 597308266 /nfs/dbraw/zinc/30/82/66/597308266.db2.gz LAKBWIBYWVCILP-GOSISDBHSA-N 2 2 335.411 1.758 20 30 EDEDLP C[NH+]1CCN(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000877747474 597552933 /nfs/dbraw/zinc/55/29/33/597552933.db2.gz NGNIFFSRTOTHTJ-UHFFFAOYSA-N 2 2 338.459 1.418 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591717 597648506 /nfs/dbraw/zinc/64/85/06/597648506.db2.gz SMZHXEMSPFAYIK-VQIMIIECSA-N 2 2 349.523 1.141 20 30 EDEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993817022 696389138 /nfs/dbraw/zinc/38/91/38/696389138.db2.gz BQRSJILDRQJBAO-NVXWUHKLSA-N 2 2 344.459 1.876 20 30 EDEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993817022 696389141 /nfs/dbraw/zinc/38/91/41/696389141.db2.gz BQRSJILDRQJBAO-NVXWUHKLSA-N 2 2 344.459 1.876 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001031435359 697103334 /nfs/dbraw/zinc/10/33/34/697103334.db2.gz YFEXOBFHLNXZDJ-MRXNPFEDSA-N 2 2 325.456 1.893 20 30 EDEDLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032131898 701857839 /nfs/dbraw/zinc/85/78/39/701857839.db2.gz FEIKJWDBSUKUAM-UHFFFAOYSA-N 2 2 349.438 1.881 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978392 702084944 /nfs/dbraw/zinc/08/49/44/702084944.db2.gz SIWONTXRTKVGFI-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978392 702084949 /nfs/dbraw/zinc/08/49/49/702084949.db2.gz SIWONTXRTKVGFI-CXAGYDPISA-N 2 2 344.434 1.443 20 30 EDEDLP C=C(Br)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997126184 703385218 /nfs/dbraw/zinc/38/52/18/703385218.db2.gz OBKHZONDHVNCRF-UHFFFAOYSA-N 2 2 327.226 1.441 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)oc2C)C1 ZINC000998929266 706357552 /nfs/dbraw/zinc/35/75/52/706357552.db2.gz QOBAPVZSEWTJAV-HTWSVDAQSA-N 2 2 344.459 1.468 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)oc2C)C1 ZINC000998929266 706357554 /nfs/dbraw/zinc/35/75/54/706357554.db2.gz QOBAPVZSEWTJAV-HTWSVDAQSA-N 2 2 344.459 1.468 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001757235 708280914 /nfs/dbraw/zinc/28/09/14/708280914.db2.gz PCSYZPKLBBCXPJ-IBGZPJMESA-N 2 2 347.503 1.481 20 30 EDEDLP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001757235 708280916 /nfs/dbraw/zinc/28/09/16/708280916.db2.gz PCSYZPKLBBCXPJ-IBGZPJMESA-N 2 2 347.503 1.481 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034215923 709570531 /nfs/dbraw/zinc/57/05/31/709570531.db2.gz CFNGBYCOALENAT-INIZCTEOSA-N 2 2 328.460 1.756 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034215923 709570534 /nfs/dbraw/zinc/57/05/34/709570534.db2.gz CFNGBYCOALENAT-INIZCTEOSA-N 2 2 328.460 1.756 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217248 709573309 /nfs/dbraw/zinc/57/33/09/709573309.db2.gz PQXRKSTWHQVXDS-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034217248 709573314 /nfs/dbraw/zinc/57/33/14/709573314.db2.gz PQXRKSTWHQVXDS-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034217248 709573318 /nfs/dbraw/zinc/57/33/18/709573318.db2.gz PQXRKSTWHQVXDS-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034217248 709573323 /nfs/dbraw/zinc/57/33/23/709573323.db2.gz PQXRKSTWHQVXDS-YJBOKZPZSA-N 2 2 343.475 1.784 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218895 709575848 /nfs/dbraw/zinc/57/58/48/709575848.db2.gz KIRIGQOAAQPSGQ-INIZCTEOSA-N 2 2 328.460 1.756 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218895 709575851 /nfs/dbraw/zinc/57/58/51/709575851.db2.gz KIRIGQOAAQPSGQ-INIZCTEOSA-N 2 2 328.460 1.756 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034663989 710333198 /nfs/dbraw/zinc/33/31/98/710333198.db2.gz PXLGQFZTCYXQJJ-ULQDDVLXSA-N 2 2 341.459 1.091 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034663989 710333202 /nfs/dbraw/zinc/33/32/02/710333202.db2.gz PXLGQFZTCYXQJJ-ULQDDVLXSA-N 2 2 341.459 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061771548 710635690 /nfs/dbraw/zinc/63/56/90/710635690.db2.gz YYBREKAGGIXYQQ-SJORKVTESA-N 2 2 341.459 1.134 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC001061771548 710635693 /nfs/dbraw/zinc/63/56/93/710635693.db2.gz YYBREKAGGIXYQQ-SJORKVTESA-N 2 2 341.459 1.134 20 30 EDEDLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000156177685 282121661 /nfs/dbraw/zinc/12/16/61/282121661.db2.gz IWQJGLMCILMDGZ-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000156177685 282121666 /nfs/dbraw/zinc/12/16/66/282121666.db2.gz IWQJGLMCILMDGZ-FUHWJXTLSA-N 2 2 326.444 1.937 20 30 EDEDLP CN(C)C(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181610131 234251291 /nfs/dbraw/zinc/25/12/91/234251291.db2.gz MRFIXQYAAVDNHQ-UHFFFAOYSA-N 2 2 328.460 1.981 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000563013339 306315769 /nfs/dbraw/zinc/31/57/69/306315769.db2.gz IWHDPDIUDVQCEE-ZWKOTPCHSA-N 2 2 342.443 1.098 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000563013339 306315770 /nfs/dbraw/zinc/31/57/70/306315770.db2.gz IWHDPDIUDVQCEE-ZWKOTPCHSA-N 2 2 342.443 1.098 20 30 EDEDLP C[C@H](c1cnn(C)c1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000341922520 250002530 /nfs/dbraw/zinc/00/25/30/250002530.db2.gz OLAPDWLFYJHTCH-HZPDHXFCSA-N 2 2 328.464 1.843 20 30 EDEDLP C[C@H](c1cnn(C)c1)[NH+](C)CC#CC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000341922520 250002533 /nfs/dbraw/zinc/00/25/33/250002533.db2.gz OLAPDWLFYJHTCH-HZPDHXFCSA-N 2 2 328.464 1.843 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000491681718 255140361 /nfs/dbraw/zinc/14/03/61/255140361.db2.gz OBLWNJKRRCOXBD-KDOFPFPSSA-N 2 2 347.484 1.117 20 30 EDEDLP C#C[C@H](CCC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000491702976 255143363 /nfs/dbraw/zinc/14/33/63/255143363.db2.gz IYQSHUBFOTUFSF-HRBLRVMOSA-N 2 2 332.492 1.741 20 30 EDEDLP C#C[C@H](CCC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000491702976 255143364 /nfs/dbraw/zinc/14/33/64/255143364.db2.gz IYQSHUBFOTUFSF-HRBLRVMOSA-N 2 2 332.492 1.741 20 30 EDEDLP C#CCOc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000267264559 533192733 /nfs/dbraw/zinc/19/27/33/533192733.db2.gz DEJXZEUNIHZSOQ-UHFFFAOYSA-N 2 2 344.459 1.846 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374751233 157386905 /nfs/dbraw/zinc/38/69/05/157386905.db2.gz OKTYHPJUMRYJQL-UHFFFAOYSA-N 2 2 342.443 1.175 20 30 EDEDLP C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282516443 267243400 /nfs/dbraw/zinc/24/34/00/267243400.db2.gz ZIELWPMXLBNOKU-RDTXWAMCSA-N 2 2 326.444 1.779 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)cn3)CC2)CC1 ZINC000107578628 441420241 /nfs/dbraw/zinc/42/02/41/441420241.db2.gz YKDPHOVOFMJNBL-UHFFFAOYSA-N 2 2 327.432 1.242 20 30 EDEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091589208 441715081 /nfs/dbraw/zinc/71/50/81/441715081.db2.gz MULUADYTDWPFEM-GOSISDBHSA-N 2 2 349.523 1.095 20 30 EDEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000091589208 441715088 /nfs/dbraw/zinc/71/50/88/441715088.db2.gz MULUADYTDWPFEM-GOSISDBHSA-N 2 2 349.523 1.095 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291300 442734164 /nfs/dbraw/zinc/73/41/64/442734164.db2.gz OSKYEKRONBLJAH-QFBILLFUSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291300 442734165 /nfs/dbraw/zinc/73/41/65/442734165.db2.gz OSKYEKRONBLJAH-QFBILLFUSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188291300 442734168 /nfs/dbraw/zinc/73/41/68/442734168.db2.gz OSKYEKRONBLJAH-QFBILLFUSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188291300 442734170 /nfs/dbraw/zinc/73/41/70/442734170.db2.gz OSKYEKRONBLJAH-QFBILLFUSA-N 2 2 331.460 1.246 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283281640 443587613 /nfs/dbraw/zinc/58/76/13/443587613.db2.gz WGMFTMOYZVFXAN-CQSZACIVSA-N 2 2 334.489 1.732 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283281640 443587615 /nfs/dbraw/zinc/58/76/15/443587615.db2.gz WGMFTMOYZVFXAN-CQSZACIVSA-N 2 2 334.489 1.732 20 30 EDEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000282011425 444062615 /nfs/dbraw/zinc/06/26/15/444062615.db2.gz OMIVFHXTAJVIAV-IBGZPJMESA-N 2 2 342.487 1.807 20 30 EDEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000282011425 444062620 /nfs/dbraw/zinc/06/26/20/444062620.db2.gz OMIVFHXTAJVIAV-IBGZPJMESA-N 2 2 342.487 1.807 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436453 444143565 /nfs/dbraw/zinc/14/35/65/444143565.db2.gz WDHQXKDDGVFMDJ-GJZGRUSLSA-N 2 2 345.447 1.361 20 30 EDEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289436453 444143569 /nfs/dbraw/zinc/14/35/69/444143569.db2.gz WDHQXKDDGVFMDJ-GJZGRUSLSA-N 2 2 345.447 1.361 20 30 EDEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331525699 444475872 /nfs/dbraw/zinc/47/58/72/444475872.db2.gz WHTLSBHGOVIOCY-JKSUJKDBSA-N 2 2 327.432 1.402 20 30 EDEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328709966 444437326 /nfs/dbraw/zinc/43/73/26/444437326.db2.gz FYXFSRAIMDEKGB-MRXNPFEDSA-N 2 2 329.448 1.350 20 30 EDEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328709966 444437329 /nfs/dbraw/zinc/43/73/29/444437329.db2.gz FYXFSRAIMDEKGB-MRXNPFEDSA-N 2 2 329.448 1.350 20 30 EDEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329134364 444480674 /nfs/dbraw/zinc/48/06/74/444480674.db2.gz BPIWNJGVKPDAIW-OAHLLOKOSA-N 2 2 334.468 1.070 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000329955531 444785414 /nfs/dbraw/zinc/78/54/14/444785414.db2.gz KSXJLSBQSFYKED-CVEARBPZSA-N 2 2 348.495 1.877 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000329955531 444785410 /nfs/dbraw/zinc/78/54/10/444785410.db2.gz KSXJLSBQSFYKED-CVEARBPZSA-N 2 2 348.495 1.877 20 30 EDEDLP CCN1CCN(C(=O)NC2CC[NH+](CC)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329943409 444779899 /nfs/dbraw/zinc/77/98/99/444779899.db2.gz DNVQTGZBXCNTMK-OAHLLOKOSA-N 2 2 334.468 1.487 20 30 EDEDLP C=CCN1CC[C@H]([NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1=O ZINC000337125769 444952937 /nfs/dbraw/zinc/95/29/37/444952937.db2.gz FKHGYRBHUGSABN-KURKYZTESA-N 2 2 334.508 1.264 20 30 EDEDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347145019 445232683 /nfs/dbraw/zinc/23/26/83/445232683.db2.gz CUCCDZRFEJDACR-KRWDZBQOSA-N 2 2 341.459 1.398 20 30 EDEDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347145019 445232685 /nfs/dbraw/zinc/23/26/85/445232685.db2.gz CUCCDZRFEJDACR-KRWDZBQOSA-N 2 2 341.459 1.398 20 30 EDEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347145019 445232686 /nfs/dbraw/zinc/23/26/86/445232686.db2.gz CUCCDZRFEJDACR-KRWDZBQOSA-N 2 2 341.459 1.398 20 30 EDEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000347145019 445232688 /nfs/dbraw/zinc/23/26/88/445232688.db2.gz CUCCDZRFEJDACR-KRWDZBQOSA-N 2 2 341.459 1.398 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364703707 445946260 /nfs/dbraw/zinc/94/62/60/445946260.db2.gz HDDNERPTLXIQQT-NJAFHUGGSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364703707 445946264 /nfs/dbraw/zinc/94/62/64/445946264.db2.gz HDDNERPTLXIQQT-NJAFHUGGSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364703707 445946268 /nfs/dbraw/zinc/94/62/68/445946268.db2.gz HDDNERPTLXIQQT-NJAFHUGGSA-N 2 2 343.475 1.767 20 30 EDEDLP C[C@H](C(=O)N(C)CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364703707 445946271 /nfs/dbraw/zinc/94/62/71/445946271.db2.gz HDDNERPTLXIQQT-NJAFHUGGSA-N 2 2 343.475 1.767 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367116495 446509536 /nfs/dbraw/zinc/50/95/36/446509536.db2.gz DEUKQFDZJFRIKN-BEFAXECRSA-N 2 2 335.411 1.927 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367116495 446509541 /nfs/dbraw/zinc/50/95/41/446509541.db2.gz DEUKQFDZJFRIKN-BEFAXECRSA-N 2 2 335.411 1.927 20 30 EDEDLP C[N@@H+]1CCN(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C(=O)C1 ZINC000371645764 446942590 /nfs/dbraw/zinc/94/25/90/446942590.db2.gz JXRFGAYNVZPDSZ-UHFFFAOYSA-N 2 2 345.874 1.930 20 30 EDEDLP C[N@H+]1CCN(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)C(=O)C1 ZINC000371645764 446942593 /nfs/dbraw/zinc/94/25/93/446942593.db2.gz JXRFGAYNVZPDSZ-UHFFFAOYSA-N 2 2 345.874 1.930 20 30 EDEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459395023 447650692 /nfs/dbraw/zinc/65/06/92/447650692.db2.gz SZYPHLTUVNINCV-UHFFFAOYSA-N 2 2 331.420 1.536 20 30 EDEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459395023 447650695 /nfs/dbraw/zinc/65/06/95/447650695.db2.gz SZYPHLTUVNINCV-UHFFFAOYSA-N 2 2 331.420 1.536 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000591502707 448380095 /nfs/dbraw/zinc/38/00/95/448380095.db2.gz MIIOTDGKQPNQQO-INIZCTEOSA-N 2 2 341.390 1.712 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3c(F)cccc3C#N)C2)CC1 ZINC000586779800 448810212 /nfs/dbraw/zinc/81/02/12/448810212.db2.gz BPPDJISJDHCPHK-HNNXBMFYSA-N 2 2 344.434 1.525 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3c(F)cccc3C#N)C2)CC1 ZINC000586779800 448810216 /nfs/dbraw/zinc/81/02/16/448810216.db2.gz BPPDJISJDHCPHK-HNNXBMFYSA-N 2 2 344.434 1.525 20 30 EDEDLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC000574782859 448956234 /nfs/dbraw/zinc/95/62/34/448956234.db2.gz IFCTUSJFCPVLRO-ZDUSSCGKSA-N 2 2 333.461 1.069 20 30 EDEDLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC000574782859 448956236 /nfs/dbraw/zinc/95/62/36/448956236.db2.gz IFCTUSJFCPVLRO-ZDUSSCGKSA-N 2 2 333.461 1.069 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CCO2 ZINC000593034438 449109573 /nfs/dbraw/zinc/10/95/73/449109573.db2.gz HVESAHPWOYSGMG-UHFFFAOYSA-N 2 2 330.388 1.763 20 30 EDEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CCO2 ZINC000593034438 449109575 /nfs/dbraw/zinc/10/95/75/449109575.db2.gz HVESAHPWOYSGMG-UHFFFAOYSA-N 2 2 330.388 1.763 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768878 449156734 /nfs/dbraw/zinc/15/67/34/449156734.db2.gz LHJKFEPMSTWXAZ-GOSISDBHSA-N 2 2 347.459 1.093 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768878 449156736 /nfs/dbraw/zinc/15/67/36/449156736.db2.gz LHJKFEPMSTWXAZ-GOSISDBHSA-N 2 2 347.459 1.093 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000611438861 449290818 /nfs/dbraw/zinc/29/08/18/449290818.db2.gz VMPZTYBZBAQPOR-OXJNMPFZSA-N 2 2 342.487 1.831 20 30 EDEDLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000602098757 449343702 /nfs/dbraw/zinc/34/37/02/449343702.db2.gz VLDKEBMGKRYJKM-QGZVFWFLSA-N 2 2 342.443 1.374 20 30 EDEDLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000602098757 449343707 /nfs/dbraw/zinc/34/37/07/449343707.db2.gz VLDKEBMGKRYJKM-QGZVFWFLSA-N 2 2 342.443 1.374 20 30 EDEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)cc1 ZINC000594938682 449813608 /nfs/dbraw/zinc/81/36/08/449813608.db2.gz NWGDOFUGPHMAJE-KRWDZBQOSA-N 2 2 335.411 1.592 20 30 EDEDLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)C1CC1 ZINC000602902991 449908948 /nfs/dbraw/zinc/90/89/48/449908948.db2.gz YMTKFMCEBPDWJC-GOSISDBHSA-N 2 2 328.460 1.890 20 30 EDEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)C1CC1 ZINC000602902991 449908953 /nfs/dbraw/zinc/90/89/53/449908953.db2.gz YMTKFMCEBPDWJC-GOSISDBHSA-N 2 2 328.460 1.890 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087609 450572707 /nfs/dbraw/zinc/57/27/07/450572707.db2.gz UHAJVYWEHAJYNS-UHFFFAOYSA-N 2 2 335.492 1.764 20 30 EDEDLP C=CCOc1cccnc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984582 451746149 /nfs/dbraw/zinc/74/61/49/451746149.db2.gz NQRWFEPNKJGAFD-UHFFFAOYSA-N 2 2 339.399 1.703 20 30 EDEDLP C=CCSc1ccccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285707 453009001 /nfs/dbraw/zinc/00/90/01/453009001.db2.gz OMUYCJAQHBLYBF-UHFFFAOYSA-N 2 2 335.473 1.607 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663299 453378554 /nfs/dbraw/zinc/37/85/54/453378554.db2.gz ZCHXVFAWUFYLDQ-UYAOXDASSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000662663299 453378560 /nfs/dbraw/zinc/37/85/60/453378560.db2.gz ZCHXVFAWUFYLDQ-UYAOXDASSA-N 2 2 343.471 1.702 20 30 EDEDLP C=CC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000662758262 453497049 /nfs/dbraw/zinc/49/70/49/453497049.db2.gz PQWVRDGFQIHEBY-FQEVSTJZSA-N 2 2 342.487 1.623 20 30 EDEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000177913665 526454372 /nfs/dbraw/zinc/45/43/72/526454372.db2.gz XPACNBZJFFEIST-CQSZACIVSA-N 2 2 337.489 1.896 20 30 EDEDLP COc1cc(C#N)ccc1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131375007 536878545 /nfs/dbraw/zinc/87/85/45/536878545.db2.gz JHAGWBLHGXIHCV-KRWDZBQOSA-N 2 2 342.443 1.481 20 30 EDEDLP COc1cc(C#N)ccc1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131375007 536878548 /nfs/dbraw/zinc/87/85/48/536878548.db2.gz JHAGWBLHGXIHCV-KRWDZBQOSA-N 2 2 342.443 1.481 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCC(CC)CC2)CC1 ZINC000753816272 579888370 /nfs/dbraw/zinc/88/83/70/579888370.db2.gz UFZPLQUTOPMWLL-UHFFFAOYSA-N 2 2 335.492 1.027 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCC(CC)CC2)CC1 ZINC000753816272 579888371 /nfs/dbraw/zinc/88/83/71/579888371.db2.gz UFZPLQUTOPMWLL-UHFFFAOYSA-N 2 2 335.492 1.027 20 30 EDEDLP CN1CC[NH+](CC2(C)CC[NH+](Cn3cccc(C#N)c3=O)CC2)CC1 ZINC000758251166 579978479 /nfs/dbraw/zinc/97/84/79/579978479.db2.gz BTQCWQSZNVUFCB-UHFFFAOYSA-N 2 2 343.475 1.027 20 30 EDEDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(C#N)ccc3F)cn2)CC1 ZINC000761968935 580064468 /nfs/dbraw/zinc/06/44/68/580064468.db2.gz FDVTXSIZXNMRCX-UHFFFAOYSA-N 2 2 340.406 1.529 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc4n[nH]cc4c3)cn2)CC1 ZINC000779817802 580498463 /nfs/dbraw/zinc/49/84/63/580498463.db2.gz GOALITWYUIVJBH-UHFFFAOYSA-N 2 2 336.403 1.551 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000895056479 591550232 /nfs/dbraw/zinc/55/02/32/591550232.db2.gz MADJFBFQCRFBIM-QGZVFWFLSA-N 2 2 341.459 1.531 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000895056479 591550234 /nfs/dbraw/zinc/55/02/34/591550234.db2.gz MADJFBFQCRFBIM-QGZVFWFLSA-N 2 2 341.459 1.531 20 30 EDEDLP C[C@H]1CC(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000901311982 592324679 /nfs/dbraw/zinc/32/46/79/592324679.db2.gz YHXNXJTUQPYBAR-KBPBESRZSA-N 2 2 332.452 1.108 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000827519538 594678323 /nfs/dbraw/zinc/67/83/23/594678323.db2.gz PBZAWDHEOADHPU-UHFFFAOYSA-N 2 2 336.439 1.547 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000827519538 594678324 /nfs/dbraw/zinc/67/83/24/594678324.db2.gz PBZAWDHEOADHPU-UHFFFAOYSA-N 2 2 336.439 1.547 20 30 EDEDLP Cc1nnsc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000844235461 595310388 /nfs/dbraw/zinc/31/03/88/595310388.db2.gz KMCSQHYKFYTXGR-UHFFFAOYSA-N 2 2 347.444 1.516 20 30 EDEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCCC#N)C2)s1 ZINC000844329423 595326092 /nfs/dbraw/zinc/32/60/92/595326092.db2.gz OBQITJBHYWVENW-HNNXBMFYSA-N 2 2 334.489 1.840 20 30 EDEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCCC#N)C2)s1 ZINC000844329423 595326095 /nfs/dbraw/zinc/32/60/95/595326095.db2.gz OBQITJBHYWVENW-HNNXBMFYSA-N 2 2 334.489 1.840 20 30 EDEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCCC#N)C2)s1 ZINC000844329423 595326096 /nfs/dbraw/zinc/32/60/96/595326096.db2.gz OBQITJBHYWVENW-HNNXBMFYSA-N 2 2 334.489 1.840 20 30 EDEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCCC#N)C2)s1 ZINC000844329423 595326101 /nfs/dbraw/zinc/32/61/01/595326101.db2.gz OBQITJBHYWVENW-HNNXBMFYSA-N 2 2 334.489 1.840 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC000870132474 596764264 /nfs/dbraw/zinc/76/42/64/596764264.db2.gz HVKSXSCAZCKKBE-UHFFFAOYSA-N 2 2 341.455 1.382 20 30 EDEDLP [NH3+]C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1C(F)(F)F ZINC000872148994 596812171 /nfs/dbraw/zinc/81/21/71/596812171.db2.gz KBPHKGGDSIUPTP-HTQZYQBOSA-N 2 2 326.256 1.972 20 30 EDEDLP [NH3+]C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1C(F)(F)F ZINC000872148994 596812172 /nfs/dbraw/zinc/81/21/72/596812172.db2.gz KBPHKGGDSIUPTP-HTQZYQBOSA-N 2 2 326.256 1.972 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000874264756 596991091 /nfs/dbraw/zinc/99/10/91/596991091.db2.gz YXJAJCOSPBPTSV-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000874264756 596991094 /nfs/dbraw/zinc/99/10/94/596991094.db2.gz YXJAJCOSPBPTSV-IBGZPJMESA-N 2 2 341.455 1.437 20 30 EDEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174451 697866928 /nfs/dbraw/zinc/86/69/28/697866928.db2.gz DCIHVSWEFDBFMF-KSSFIOAISA-N 2 2 337.427 1.851 20 30 EDEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174451 697866932 /nfs/dbraw/zinc/86/69/32/697866932.db2.gz DCIHVSWEFDBFMF-KSSFIOAISA-N 2 2 337.427 1.851 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031777151 699162278 /nfs/dbraw/zinc/16/22/78/699162278.db2.gz WSDCTBDEUOWXFS-LJQANCHMSA-N 2 2 343.446 1.710 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031777151 699162281 /nfs/dbraw/zinc/16/22/81/699162281.db2.gz WSDCTBDEUOWXFS-LJQANCHMSA-N 2 2 343.446 1.710 20 30 EDEDLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939213390 699363022 /nfs/dbraw/zinc/36/30/22/699363022.db2.gz CWQSLLMASKDLKL-SJCJKPOMSA-N 2 2 341.390 1.600 20 30 EDEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000939621992 699758516 /nfs/dbraw/zinc/75/85/16/699758516.db2.gz HHFXKZFHWASIHH-SCLBCKFNSA-N 2 2 337.427 1.769 20 30 EDEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995118181 701086524 /nfs/dbraw/zinc/08/65/24/701086524.db2.gz RZGBGWUJLQDTPV-STQMWFEESA-N 2 2 343.456 1.960 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806322 701195978 /nfs/dbraw/zinc/19/59/78/701195978.db2.gz CORARGJWUYJLJW-CRAIPNDOSA-N 2 2 337.427 1.782 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806322 701195980 /nfs/dbraw/zinc/19/59/80/701195980.db2.gz CORARGJWUYJLJW-CRAIPNDOSA-N 2 2 337.427 1.782 20 30 EDEDLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001031948392 701514842 /nfs/dbraw/zinc/51/48/42/701514842.db2.gz XWWZIQUDWXFVKV-UHFFFAOYSA-N 2 2 344.434 1.587 20 30 EDEDLP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541137 701972344 /nfs/dbraw/zinc/97/23/44/701972344.db2.gz CLIZIOOGJDAGGZ-OWCLPIDISA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541137 701972349 /nfs/dbraw/zinc/97/23/49/701972349.db2.gz CLIZIOOGJDAGGZ-OWCLPIDISA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541137 701972356 /nfs/dbraw/zinc/97/23/56/701972356.db2.gz CLIZIOOGJDAGGZ-OWCLPIDISA-N 2 2 343.899 1.771 20 30 EDEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541137 701972362 /nfs/dbraw/zinc/97/23/62/701972362.db2.gz CLIZIOOGJDAGGZ-OWCLPIDISA-N 2 2 343.899 1.771 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979051 702041262 /nfs/dbraw/zinc/04/12/62/702041262.db2.gz XYIJNJLEKYKHFE-DNVCBOLYSA-N 2 2 343.446 1.423 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031979051 702041266 /nfs/dbraw/zinc/04/12/66/702041266.db2.gz XYIJNJLEKYKHFE-DNVCBOLYSA-N 2 2 343.446 1.423 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)C(C)(C)C1 ZINC000995913774 702267568 /nfs/dbraw/zinc/26/75/68/702267568.db2.gz AGDILYLWASWGPS-DOTOQJQBSA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)C(C)(C)C1 ZINC000995913774 702267574 /nfs/dbraw/zinc/26/75/74/702267574.db2.gz AGDILYLWASWGPS-DOTOQJQBSA-N 2 2 344.459 1.407 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000997128422 703387496 /nfs/dbraw/zinc/38/74/96/703387496.db2.gz VMDZKUFCMGEVPS-UHFFFAOYSA-N 2 2 341.390 1.744 20 30 EDEDLP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976657 705120901 /nfs/dbraw/zinc/12/09/01/705120901.db2.gz NPRBLSGAOWKVFG-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997976657 705120903 /nfs/dbraw/zinc/12/09/03/705120903.db2.gz NPRBLSGAOWKVFG-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997976657 705120907 /nfs/dbraw/zinc/12/09/07/705120907.db2.gz NPRBLSGAOWKVFG-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C=C(C)CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976657 705120909 /nfs/dbraw/zinc/12/09/09/705120909.db2.gz NPRBLSGAOWKVFG-ZWKOTPCHSA-N 2 2 337.508 1.986 20 30 EDEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050397 705244308 /nfs/dbraw/zinc/24/43/08/705244308.db2.gz HMEAASLAHYKVLS-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000998050397 705244311 /nfs/dbraw/zinc/24/43/11/705244311.db2.gz HMEAASLAHYKVLS-IRXDYDNUSA-N 2 2 328.460 1.782 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033659227 708471089 /nfs/dbraw/zinc/47/10/89/708471089.db2.gz WJUKWEUGZXHXMC-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033659227 708471091 /nfs/dbraw/zinc/47/10/91/708471091.db2.gz WJUKWEUGZXHXMC-SFHVURJKSA-N 2 2 337.427 1.796 20 30 EDEDLP C=CC[NH+]1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001995006 708510097 /nfs/dbraw/zinc/51/00/97/708510097.db2.gz QRDWUBOUGHVGBR-UHFFFAOYSA-N 2 2 325.416 1.895 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942683 709149964 /nfs/dbraw/zinc/14/99/64/709149964.db2.gz XEOHVVDOQYXXHK-SJLPKXTDSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033942683 709149967 /nfs/dbraw/zinc/14/99/67/709149967.db2.gz XEOHVVDOQYXXHK-SJLPKXTDSA-N 2 2 328.460 1.700 20 30 EDEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009972 709221395 /nfs/dbraw/zinc/22/13/95/709221395.db2.gz OTMDNQNMQSOVML-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034009972 709221401 /nfs/dbraw/zinc/22/14/01/709221401.db2.gz OTMDNQNMQSOVML-MRXNPFEDSA-N 2 2 325.416 1.990 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468656 710075785 /nfs/dbraw/zinc/07/57/85/710075785.db2.gz SJHDVLLLAWLLLA-KRWDZBQOSA-N 2 2 337.427 1.875 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468656 710075791 /nfs/dbraw/zinc/07/57/91/710075791.db2.gz SJHDVLLLAWLLLA-KRWDZBQOSA-N 2 2 337.427 1.875 20 30 EDEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473544 710103281 /nfs/dbraw/zinc/10/32/81/710103281.db2.gz AAFCZPIKOPNVBP-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473544 710103283 /nfs/dbraw/zinc/10/32/83/710103283.db2.gz AAFCZPIKOPNVBP-INIZCTEOSA-N 2 2 337.427 1.875 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965985 711020620 /nfs/dbraw/zinc/02/06/20/711020620.db2.gz AXLHPOKWXHPPOK-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965985 711020623 /nfs/dbraw/zinc/02/06/23/711020623.db2.gz AXLHPOKWXHPPOK-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965985 711020626 /nfs/dbraw/zinc/02/06/26/711020626.db2.gz AXLHPOKWXHPPOK-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032965985 711020630 /nfs/dbraw/zinc/02/06/30/711020630.db2.gz AXLHPOKWXHPPOK-WMZOPIPTSA-N 2 2 344.434 1.824 20 30 EDEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644557 712151378 /nfs/dbraw/zinc/15/13/78/712151378.db2.gz HMLAJEYTBNTUID-YESZJQIVSA-N 2 2 328.460 1.802 20 30 EDEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946644557 712151380 /nfs/dbraw/zinc/15/13/80/712151380.db2.gz HMLAJEYTBNTUID-YESZJQIVSA-N 2 2 328.460 1.802 20 30 EDEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645021 712153616 /nfs/dbraw/zinc/15/36/16/712153616.db2.gz MYKGBDMUAAYDJY-BBWFWOEESA-N 2 2 326.444 1.249 20 30 EDEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946645021 712153617 /nfs/dbraw/zinc/15/36/17/712153617.db2.gz MYKGBDMUAAYDJY-BBWFWOEESA-N 2 2 326.444 1.249 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000093132891 138292133 /nfs/dbraw/zinc/29/21/33/138292133.db2.gz LIZOFNXZMAQQRB-KRWDZBQOSA-N 2 2 338.459 1.418 20 30 EDEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000093132891 138292134 /nfs/dbraw/zinc/29/21/34/138292134.db2.gz LIZOFNXZMAQQRB-KRWDZBQOSA-N 2 2 338.459 1.418 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000123801001 237140583 /nfs/dbraw/zinc/14/05/83/237140583.db2.gz AYHCNIXZQYBVPW-INIZCTEOSA-N 2 2 342.447 1.331 20 30 EDEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000123801001 237140587 /nfs/dbraw/zinc/14/05/87/237140587.db2.gz AYHCNIXZQYBVPW-INIZCTEOSA-N 2 2 342.447 1.331 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000123801204 237141275 /nfs/dbraw/zinc/14/12/75/237141275.db2.gz AYHCNIXZQYBVPW-MRXNPFEDSA-N 2 2 342.447 1.331 20 30 EDEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000123801204 237141282 /nfs/dbraw/zinc/14/12/82/237141282.db2.gz AYHCNIXZQYBVPW-MRXNPFEDSA-N 2 2 342.447 1.331 20 30 EDEDLP C=C(C)COCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355086379 250105168 /nfs/dbraw/zinc/10/51/68/250105168.db2.gz KMIRCFTZYKFDBJ-INIZCTEOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=C(C)COCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355086379 250105172 /nfs/dbraw/zinc/10/51/72/250105172.db2.gz KMIRCFTZYKFDBJ-INIZCTEOSA-N 2 2 338.496 1.389 20 30 EDEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361530896 250174534 /nfs/dbraw/zinc/17/45/34/250174534.db2.gz MPEFYZUMJNHKQA-INIZCTEOSA-N 2 2 344.459 1.801 20 30 EDEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362688460 250182964 /nfs/dbraw/zinc/18/29/64/250182964.db2.gz ZUOANUHHGFIGNF-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362688460 250182967 /nfs/dbraw/zinc/18/29/67/250182967.db2.gz ZUOANUHHGFIGNF-KRWDZBQOSA-N 2 2 329.444 1.648 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000491047128 255116358 /nfs/dbraw/zinc/11/63/58/255116358.db2.gz TWWBPBAYSNAARO-IBGZPJMESA-N 2 2 347.409 1.949 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000490739910 255104296 /nfs/dbraw/zinc/10/42/96/255104296.db2.gz HQYNSGMXZSJNSW-SFHVURJKSA-N 2 2 328.460 1.330 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1 ZINC000490739910 255104298 /nfs/dbraw/zinc/10/42/98/255104298.db2.gz HQYNSGMXZSJNSW-SFHVURJKSA-N 2 2 328.460 1.330 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000491040176 255115323 /nfs/dbraw/zinc/11/53/23/255115323.db2.gz SPBLFVLYTFSDDK-UHFFFAOYSA-N 2 2 325.456 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(c3ccccc3)CC2)CC1 ZINC000491040176 255115325 /nfs/dbraw/zinc/11/53/25/255115325.db2.gz SPBLFVLYTFSDDK-UHFFFAOYSA-N 2 2 325.456 1.427 20 30 EDEDLP COc1cc(C#N)ccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378599604 158217158 /nfs/dbraw/zinc/21/71/58/158217158.db2.gz XCSUEKGSDDGEFQ-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP COc1cc(C#N)ccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378599604 158217161 /nfs/dbraw/zinc/21/71/61/158217161.db2.gz XCSUEKGSDDGEFQ-UHFFFAOYSA-N 2 2 342.443 1.305 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cccc(C#N)c3)CC2)CC1 ZINC000531147772 267331514 /nfs/dbraw/zinc/33/15/14/267331514.db2.gz CGJXUJZQRKGCDM-UHFFFAOYSA-N 2 2 340.471 1.776 20 30 EDEDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000517918760 267828874 /nfs/dbraw/zinc/82/88/74/267828874.db2.gz PCICJAKGGOMCKE-YKWDICOMSA-N 2 2 344.459 2.000 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104719154 441201645 /nfs/dbraw/zinc/20/16/45/441201645.db2.gz VWHUSYDMPZWOJL-UHFFFAOYSA-N 2 2 330.432 1.413 20 30 EDEDLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000062504525 441303663 /nfs/dbraw/zinc/30/36/63/441303663.db2.gz LFPFOWGTLHSDND-INIZCTEOSA-N 2 2 343.475 1.726 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159734236 441833279 /nfs/dbraw/zinc/83/32/79/441833279.db2.gz XTQGBSNMHVCMHG-KFWWJZLASA-N 2 2 326.404 1.252 20 30 EDEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718561 441957529 /nfs/dbraw/zinc/95/75/29/441957529.db2.gz LIOARVUITVJMAR-MRXNPFEDSA-N 2 2 343.475 1.455 20 30 EDEDLP C#CCOc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177153464 442305899 /nfs/dbraw/zinc/30/58/99/442305899.db2.gz KKUPZXZFKRFNPW-UHFFFAOYSA-N 2 2 329.444 1.454 20 30 EDEDLP C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000178155355 442412251 /nfs/dbraw/zinc/41/22/51/442412251.db2.gz DJQGKAGVMQYQHX-OAHLLOKOSA-N 2 2 342.443 1.447 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157272497 442566994 /nfs/dbraw/zinc/56/69/94/442566994.db2.gz CTYNSYFVAHZKTP-QGZVFWFLSA-N 2 2 331.464 1.593 20 30 EDEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157272497 442566999 /nfs/dbraw/zinc/56/69/99/442566999.db2.gz CTYNSYFVAHZKTP-QGZVFWFLSA-N 2 2 331.464 1.593 20 30 EDEDLP C=C(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000181266091 442687054 /nfs/dbraw/zinc/68/70/54/442687054.db2.gz DISCZKBQKXWHPT-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C=C(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000181266091 442687056 /nfs/dbraw/zinc/68/70/56/442687056.db2.gz DISCZKBQKXWHPT-UHFFFAOYSA-N 2 2 331.460 1.847 20 30 EDEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CC[C@@H](COC)C1 ZINC000262467490 443195503 /nfs/dbraw/zinc/19/55/03/443195503.db2.gz NYYAKLKOLNDZJM-OAHLLOKOSA-N 2 2 342.447 1.619 20 30 EDEDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])NC(C)(C)C)CC2)cc1 ZINC000264132804 443251624 /nfs/dbraw/zinc/25/16/24/443251624.db2.gz YQEUQIKMPUBMRR-UHFFFAOYSA-N 2 2 333.480 1.520 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289303818 444102796 /nfs/dbraw/zinc/10/27/96/444102796.db2.gz IMNKYOSHVOTQBW-MRXNPFEDSA-N 2 2 344.459 1.801 20 30 EDEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289303818 444102801 /nfs/dbraw/zinc/10/28/01/444102801.db2.gz IMNKYOSHVOTQBW-MRXNPFEDSA-N 2 2 344.459 1.801 20 30 EDEDLP C#CC[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289674802 444189062 /nfs/dbraw/zinc/18/90/62/444189062.db2.gz NSTRXHSVLLCLMJ-UHFFFAOYSA-N 2 2 335.455 1.864 20 30 EDEDLP C#CC[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289674802 444189063 /nfs/dbraw/zinc/18/90/63/444189063.db2.gz NSTRXHSVLLCLMJ-UHFFFAOYSA-N 2 2 335.455 1.864 20 30 EDEDLP CC[N@H+]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329260852 444515206 /nfs/dbraw/zinc/51/52/06/444515206.db2.gz AQGDFPYUHBSLIX-MRXNPFEDSA-N 2 2 349.479 1.829 20 30 EDEDLP CN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)c2ccc[nH+]c21 ZINC000329500448 444605711 /nfs/dbraw/zinc/60/57/11/444605711.db2.gz YIJIUCCBHKEVBR-UHFFFAOYSA-N 2 2 329.448 1.921 20 30 EDEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329953532 444784752 /nfs/dbraw/zinc/78/47/52/444784752.db2.gz JKNNQTXBIBVJCM-HZPDHXFCSA-N 2 2 348.495 1.497 20 30 EDEDLP CCN1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329967446 444792011 /nfs/dbraw/zinc/79/20/11/444792011.db2.gz SMEMIQVORCFPTG-JKSUJKDBSA-N 2 2 348.495 1.734 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000330071301 444833397 /nfs/dbraw/zinc/83/33/97/444833397.db2.gz ITDVGYWPGKPSLZ-WMLDXEAASA-N 2 2 325.453 1.307 20 30 EDEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000330071301 444833401 /nfs/dbraw/zinc/83/34/01/444833401.db2.gz ITDVGYWPGKPSLZ-WMLDXEAASA-N 2 2 325.453 1.307 20 30 EDEDLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330186320 444878264 /nfs/dbraw/zinc/87/82/64/444878264.db2.gz JSDXFINRCKSMNW-HNNXBMFYSA-N 2 2 340.431 1.638 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346910654 445227971 /nfs/dbraw/zinc/22/79/71/445227971.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346910654 445227972 /nfs/dbraw/zinc/22/79/72/445227972.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346910654 445227973 /nfs/dbraw/zinc/22/79/73/445227973.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 2 333.480 1.426 20 30 EDEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346910654 445227974 /nfs/dbraw/zinc/22/79/74/445227974.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 2 333.480 1.426 20 30 EDEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352803426 445556401 /nfs/dbraw/zinc/55/64/01/445556401.db2.gz ODLHEEILPBAHCK-INIZCTEOSA-N 2 2 349.475 1.703 20 30 EDEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352803426 445556404 /nfs/dbraw/zinc/55/64/04/445556404.db2.gz ODLHEEILPBAHCK-INIZCTEOSA-N 2 2 349.475 1.703 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000369069872 445911674 /nfs/dbraw/zinc/91/16/74/445911674.db2.gz DHOZODQIFSWOCE-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000369069872 445911677 /nfs/dbraw/zinc/91/16/77/445911677.db2.gz DHOZODQIFSWOCE-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000369069872 445911680 /nfs/dbraw/zinc/91/16/80/445911680.db2.gz DHOZODQIFSWOCE-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000369069872 445911682 /nfs/dbraw/zinc/91/16/82/445911682.db2.gz DHOZODQIFSWOCE-CGTJXYLNSA-N 2 2 345.491 1.522 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000414138555 447276484 /nfs/dbraw/zinc/27/64/84/447276484.db2.gz PTRPIVAQRMTJLZ-HNNXBMFYSA-N 2 2 329.360 1.665 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000414138555 447276491 /nfs/dbraw/zinc/27/64/91/447276491.db2.gz PTRPIVAQRMTJLZ-HNNXBMFYSA-N 2 2 329.360 1.665 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)CC1 ZINC000490866795 447901483 /nfs/dbraw/zinc/90/14/83/447901483.db2.gz VBUFJFGNPUEYDE-GOSISDBHSA-N 2 2 328.460 1.454 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591664344 448436673 /nfs/dbraw/zinc/43/66/73/448436673.db2.gz JFEIDRBUSGBVEA-ZACQAIPSSA-N 2 2 345.443 1.523 20 30 EDEDLP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000591664344 448436678 /nfs/dbraw/zinc/43/66/78/448436678.db2.gz JFEIDRBUSGBVEA-ZACQAIPSSA-N 2 2 345.443 1.523 20 30 EDEDLP CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591881105 448533520 /nfs/dbraw/zinc/53/35/20/448533520.db2.gz UZFXBLNAJMARTK-UXLLHSPISA-N 2 2 333.480 1.489 20 30 EDEDLP CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591881105 448533525 /nfs/dbraw/zinc/53/35/25/448533525.db2.gz UZFXBLNAJMARTK-UXLLHSPISA-N 2 2 333.480 1.489 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000578770142 448634048 /nfs/dbraw/zinc/63/40/48/448634048.db2.gz LXTASIFPAFGDQQ-QRVBRYPASA-N 2 2 326.444 1.903 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000578770142 448634052 /nfs/dbraw/zinc/63/40/52/448634052.db2.gz LXTASIFPAFGDQQ-QRVBRYPASA-N 2 2 326.444 1.903 20 30 EDEDLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000567684312 448737477 /nfs/dbraw/zinc/73/74/77/448737477.db2.gz GTYGQTZPKGUHDC-KRWDZBQOSA-N 2 2 349.500 1.899 20 30 EDEDLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000567684312 448737480 /nfs/dbraw/zinc/73/74/80/448737480.db2.gz GTYGQTZPKGUHDC-KRWDZBQOSA-N 2 2 349.500 1.899 20 30 EDEDLP N#Cc1ccc(-c2cc(N3CC[NH+](CCn4cc[nH+]c4)CC3)n[nH]2)cc1 ZINC000595725125 449133013 /nfs/dbraw/zinc/13/30/13/449133013.db2.gz AQEDMIAAWCXTPG-UHFFFAOYSA-N 2 2 347.426 1.967 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C#N)CC34CCCC4)C2)CC1 ZINC000590635467 449230372 /nfs/dbraw/zinc/23/03/72/449230372.db2.gz FBIZEJLEDXQIEJ-BEFAXECRSA-N 2 2 330.476 1.745 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C#N)CC34CCCC4)C2)CC1 ZINC000590635467 449230378 /nfs/dbraw/zinc/23/03/78/449230378.db2.gz FBIZEJLEDXQIEJ-BEFAXECRSA-N 2 2 330.476 1.745 20 30 EDEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCNC(=O)C3)CC2)c1 ZINC000602706994 449761515 /nfs/dbraw/zinc/76/15/15/449761515.db2.gz RXZNXMGFUGRVLB-SFHVURJKSA-N 2 2 326.444 1.781 20 30 EDEDLP N#CC1(CCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCOCC1 ZINC000619620996 450285519 /nfs/dbraw/zinc/28/55/19/450285519.db2.gz BSFOKQAWSFYUSL-QGZVFWFLSA-N 2 2 348.491 1.501 20 30 EDEDLP N#CC1(CCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCOCC1 ZINC000619620996 450285525 /nfs/dbraw/zinc/28/55/25/450285525.db2.gz BSFOKQAWSFYUSL-QGZVFWFLSA-N 2 2 348.491 1.501 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000664021733 452723737 /nfs/dbraw/zinc/72/37/37/452723737.db2.gz ZTQKNJQFSHDQSI-HNNXBMFYSA-N 2 2 349.479 1.429 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323405 453040962 /nfs/dbraw/zinc/04/09/62/453040962.db2.gz QIMWXNAKXKTTHJ-IAGOWNOFSA-N 2 2 325.497 1.842 20 30 EDEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323405 453040967 /nfs/dbraw/zinc/04/09/67/453040967.db2.gz QIMWXNAKXKTTHJ-IAGOWNOFSA-N 2 2 325.497 1.842 20 30 EDEDLP C=CC[C@@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[NH2+]1 ZINC000662670526 453384120 /nfs/dbraw/zinc/38/41/20/453384120.db2.gz GILMVHQOWSEWPH-SFHVURJKSA-N 2 2 330.432 1.233 20 30 EDEDLP C=CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662756498 453494753 /nfs/dbraw/zinc/49/47/53/453494753.db2.gz HPOIFXJNSOVCDR-FQEVSTJZSA-N 3 2 348.535 1.751 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154015090 527610922 /nfs/dbraw/zinc/61/09/22/527610922.db2.gz LSZNKXINBHXEMF-KDURUIRLSA-N 2 2 348.535 1.677 20 30 EDEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154015090 527610929 /nfs/dbraw/zinc/61/09/29/527610929.db2.gz LSZNKXINBHXEMF-KDURUIRLSA-N 2 2 348.535 1.677 20 30 EDEDLP CCNC(NCc1cccc(OCC[NH+]2CCOCC2)c1)=[NH+]CC ZINC000264078826 535787033 /nfs/dbraw/zinc/78/70/33/535787033.db2.gz GQZPGTGKIXVTHL-UHFFFAOYSA-N 2 2 334.464 1.473 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000730275998 578638364 /nfs/dbraw/zinc/63/83/64/578638364.db2.gz CWHLZPFDOLPHFX-IBGZPJMESA-N 2 2 340.471 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000730275998 578638365 /nfs/dbraw/zinc/63/83/65/578638365.db2.gz CWHLZPFDOLPHFX-IBGZPJMESA-N 2 2 340.471 1.470 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000748818784 579701888 /nfs/dbraw/zinc/70/18/88/579701888.db2.gz YNDMKBYJXMKDPQ-SJLPKXTDSA-N 2 2 343.446 1.781 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000748818784 579701889 /nfs/dbraw/zinc/70/18/89/579701889.db2.gz YNDMKBYJXMKDPQ-SJLPKXTDSA-N 2 2 343.446 1.781 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000763137077 580093746 /nfs/dbraw/zinc/09/37/46/580093746.db2.gz HAOWYSUIFXESLM-IBGZPJMESA-N 2 2 341.455 1.679 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000763137077 580093747 /nfs/dbraw/zinc/09/37/47/580093747.db2.gz HAOWYSUIFXESLM-IBGZPJMESA-N 2 2 341.455 1.679 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892579272 591079734 /nfs/dbraw/zinc/07/97/34/591079734.db2.gz WVIHVRLYBPLMOK-QAQDUYKDSA-N 2 2 327.432 1.123 20 30 EDEDLP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000900287030 591972340 /nfs/dbraw/zinc/97/23/40/591972340.db2.gz DMTRVYSYSGWNBL-LJQANCHMSA-N 2 2 345.487 1.992 20 30 EDEDLP NC(=NOCc1ccns1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703721 592051444 /nfs/dbraw/zinc/05/14/44/592051444.db2.gz XYXYWLHJQUJTMU-UHFFFAOYSA-N 2 2 332.429 1.812 20 30 EDEDLP NC(=[NH+]OCc1ccns1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703721 592051445 /nfs/dbraw/zinc/05/14/45/592051445.db2.gz XYXYWLHJQUJTMU-UHFFFAOYSA-N 2 2 332.429 1.812 20 30 EDEDLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)c3ccc(C#N)cc3)nn2)CC1 ZINC000900579510 592057775 /nfs/dbraw/zinc/05/77/75/592057775.db2.gz AHRMCTUDJRDDRL-SFHVURJKSA-N 2 2 340.431 1.067 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823558 592334627 /nfs/dbraw/zinc/33/46/27/592334627.db2.gz HPVTXNOEGHQBIQ-FHWLQOOXSA-N 2 2 327.428 1.700 20 30 EDEDLP N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903823558 592334631 /nfs/dbraw/zinc/33/46/31/592334631.db2.gz HPVTXNOEGHQBIQ-FHWLQOOXSA-N 2 2 327.428 1.700 20 30 EDEDLP C#CCN1CCC[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000905463359 592542276 /nfs/dbraw/zinc/54/22/76/592542276.db2.gz ZPLIJJLHWCCGHH-ROUUACIJSA-N 2 2 340.471 1.701 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000784476462 593139648 /nfs/dbraw/zinc/13/96/48/593139648.db2.gz UKGUHUODAVFABM-LJQANCHMSA-N 2 2 325.456 1.562 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000784476462 593139651 /nfs/dbraw/zinc/13/96/51/593139651.db2.gz UKGUHUODAVFABM-LJQANCHMSA-N 2 2 325.456 1.562 20 30 EDEDLP C#CC[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000825906614 594274811 /nfs/dbraw/zinc/27/48/11/594274811.db2.gz GDSGXTYPABMZMQ-KRWDZBQOSA-N 2 2 346.519 1.990 20 30 EDEDLP Cc1nc([C@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000842024642 595004383 /nfs/dbraw/zinc/00/43/83/595004383.db2.gz PJZMTHMPZMHUOQ-LBPRGKRZSA-N 2 2 345.403 1.608 20 30 EDEDLP C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847025867 595353176 /nfs/dbraw/zinc/35/31/76/595353176.db2.gz XACVJTDIRSUKQS-KRWDZBQOSA-N 2 2 341.455 1.803 20 30 EDEDLP C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000847025867 595353177 /nfs/dbraw/zinc/35/31/77/595353177.db2.gz XACVJTDIRSUKQS-KRWDZBQOSA-N 2 2 341.455 1.803 20 30 EDEDLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872055 595591185 /nfs/dbraw/zinc/59/11/85/595591185.db2.gz AIMYYYPPVOOEPS-MRXNPFEDSA-N 2 2 326.444 1.290 20 30 EDEDLP CCON(CC)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000858222482 595735032 /nfs/dbraw/zinc/73/50/32/595735032.db2.gz FTJJKDDSCZSDON-UHFFFAOYSA-N 2 2 344.459 1.912 20 30 EDEDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856591777 596027413 /nfs/dbraw/zinc/02/74/13/596027413.db2.gz CKWDLADJDMKTPY-QGZVFWFLSA-N 2 2 345.447 1.016 20 30 EDEDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCC#N)C2)ccn1 ZINC000856591777 596027416 /nfs/dbraw/zinc/02/74/16/596027416.db2.gz CKWDLADJDMKTPY-QGZVFWFLSA-N 2 2 345.447 1.016 20 30 EDEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856591777 596027418 /nfs/dbraw/zinc/02/74/18/596027418.db2.gz CKWDLADJDMKTPY-QGZVFWFLSA-N 2 2 345.447 1.016 20 30 EDEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCCC#N)C2)ccn1 ZINC000856591777 596027422 /nfs/dbraw/zinc/02/74/22/596027422.db2.gz CKWDLADJDMKTPY-QGZVFWFLSA-N 2 2 345.447 1.016 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000852087278 596038616 /nfs/dbraw/zinc/03/86/16/596038616.db2.gz HKOHWTOGCZLIOH-QGZVFWFLSA-N 2 2 326.444 1.038 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000852087278 596038620 /nfs/dbraw/zinc/03/86/20/596038620.db2.gz HKOHWTOGCZLIOH-QGZVFWFLSA-N 2 2 326.444 1.038 20 30 EDEDLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997487 596647303 /nfs/dbraw/zinc/64/73/03/596647303.db2.gz FYGLDLSDAVVHNR-ROUUACIJSA-N 2 2 344.459 1.333 20 30 EDEDLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000867997487 596647306 /nfs/dbraw/zinc/64/73/06/596647306.db2.gz FYGLDLSDAVVHNR-ROUUACIJSA-N 2 2 344.459 1.333 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000992687815 695207637 /nfs/dbraw/zinc/20/76/37/695207637.db2.gz DNRDZMNHIJVBPB-RYQLBKOJSA-N 2 2 340.471 1.612 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]21 ZINC000992726280 695242741 /nfs/dbraw/zinc/24/27/41/695242741.db2.gz HJWSRUKCJSNYIN-BHYGNILZSA-N 2 2 327.428 1.483 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(C#N)c1 ZINC000918699181 697199563 /nfs/dbraw/zinc/19/95/63/697199563.db2.gz AYJFVLFJDCYAST-UHFFFAOYSA-N 2 2 344.459 1.421 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(C#N)c1 ZINC000918699181 697199565 /nfs/dbraw/zinc/19/95/65/697199565.db2.gz AYJFVLFJDCYAST-UHFFFAOYSA-N 2 2 344.459 1.421 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850113 700943957 /nfs/dbraw/zinc/94/39/57/700943957.db2.gz BILWJNULDQJEKD-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850113 700943958 /nfs/dbraw/zinc/94/39/58/700943958.db2.gz BILWJNULDQJEKD-HZPDHXFCSA-N 2 2 328.460 1.686 20 30 EDEDLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978395 702084771 /nfs/dbraw/zinc/08/47/71/702084771.db2.gz SIWONTXRTKVGFI-DYVFJYSZSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031978395 702084779 /nfs/dbraw/zinc/08/47/79/702084779.db2.gz SIWONTXRTKVGFI-DYVFJYSZSA-N 2 2 344.434 1.443 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997649761 703960502 /nfs/dbraw/zinc/96/05/02/703960502.db2.gz RGFZNQUVFQBJHQ-RDJZCZTQSA-N 2 2 328.460 1.686 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C(F)(F)F ZINC000998279463 705669578 /nfs/dbraw/zinc/66/95/78/705669578.db2.gz WYMMIZFEYCFYBI-CHWSQXEVSA-N 2 2 344.381 1.908 20 30 EDEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998307184 705709511 /nfs/dbraw/zinc/70/95/11/705709511.db2.gz WJBPUFBHJJLZNH-ZIAGYGMSSA-N 2 2 344.381 1.908 20 30 EDEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664442 708445880 /nfs/dbraw/zinc/44/58/80/708445880.db2.gz GUZONSISWBHNFB-QAPCUYQASA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033664442 708445883 /nfs/dbraw/zinc/44/58/83/708445883.db2.gz GUZONSISWBHNFB-QAPCUYQASA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664442 708445886 /nfs/dbraw/zinc/44/58/86/708445886.db2.gz GUZONSISWBHNFB-QAPCUYQASA-N 2 2 344.434 1.682 20 30 EDEDLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001033664442 708445887 /nfs/dbraw/zinc/44/58/87/708445887.db2.gz GUZONSISWBHNFB-QAPCUYQASA-N 2 2 344.434 1.682 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nocc3C)C2)CC1 ZINC001033685920 708500454 /nfs/dbraw/zinc/50/04/54/708500454.db2.gz XNSFBYBWMLFNPM-QGZVFWFLSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)CC1 ZINC001033685920 708500456 /nfs/dbraw/zinc/50/04/56/708500456.db2.gz XNSFBYBWMLFNPM-QGZVFWFLSA-N 2 2 344.459 1.361 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2conc2C)CC1 ZINC001005517395 709436859 /nfs/dbraw/zinc/43/68/59/709436859.db2.gz ABZCETYJHSKBJX-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2conc2C)CC1 ZINC001005517395 709436861 /nfs/dbraw/zinc/43/68/61/709436861.db2.gz ABZCETYJHSKBJX-SFHVURJKSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034249475 709611139 /nfs/dbraw/zinc/61/11/39/709611139.db2.gz JZHUJDRCRUJQHO-OALUTQOASA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034249475 709611141 /nfs/dbraw/zinc/61/11/41/709611141.db2.gz JZHUJDRCRUJQHO-OALUTQOASA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034249475 709611146 /nfs/dbraw/zinc/61/11/46/709611146.db2.gz JZHUJDRCRUJQHO-OALUTQOASA-N 2 2 347.503 1.481 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034249475 709611148 /nfs/dbraw/zinc/61/11/48/709611148.db2.gz JZHUJDRCRUJQHO-OALUTQOASA-N 2 2 347.503 1.481 20 30 EDEDLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC001004145793 711555578 /nfs/dbraw/zinc/55/55/78/711555578.db2.gz UJVPYIMFNGGKPR-HNNXBMFYSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC001004145793 711555579 /nfs/dbraw/zinc/55/55/79/711555579.db2.gz UJVPYIMFNGGKPR-HNNXBMFYSA-N 2 2 344.434 1.730 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609053 712061970 /nfs/dbraw/zinc/06/19/70/712061970.db2.gz DLPQNKMRMMOUAG-SFHVURJKSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609053 712061973 /nfs/dbraw/zinc/06/19/73/712061973.db2.gz DLPQNKMRMMOUAG-SFHVURJKSA-N 2 2 328.460 1.689 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652528 712205575 /nfs/dbraw/zinc/20/55/75/712205575.db2.gz WJTBARXTGDNNQN-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652528 712205577 /nfs/dbraw/zinc/20/55/77/712205577.db2.gz WJTBARXTGDNNQN-FGTMMUONSA-N 2 2 340.471 1.639 20 30 EDEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000176968351 529788439 /nfs/dbraw/zinc/78/84/39/529788439.db2.gz GNIDMRWORIVJLI-CYBMUJFWSA-N 2 2 346.353 1.320 20 30 EDEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000176968351 529788440 /nfs/dbraw/zinc/78/84/40/529788440.db2.gz GNIDMRWORIVJLI-CYBMUJFWSA-N 2 2 346.353 1.320 20 30 EDEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333553756 539633813 /nfs/dbraw/zinc/63/38/13/539633813.db2.gz GBBUGJZYNPIMSI-IRXDYDNUSA-N 2 2 348.491 1.420 20 30 EDEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069029379 215354034 /nfs/dbraw/zinc/35/40/34/215354034.db2.gz VTELJDBRKVFCPR-UHFFFAOYSA-N 2 2 348.472 1.602 20 30 EDEDLP C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328722207 296008479 /nfs/dbraw/zinc/00/84/79/296008479.db2.gz RTYOQKOTBHXDBR-HOTGVXAUSA-N 2 2 335.452 1.230 20 30 EDEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328722207 296008481 /nfs/dbraw/zinc/00/84/81/296008481.db2.gz RTYOQKOTBHXDBR-HOTGVXAUSA-N 2 2 335.452 1.230 20 30 EDEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860381 216321740 /nfs/dbraw/zinc/32/17/40/216321740.db2.gz ZLBHIEOEENCBGP-SJLPKXTDSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860381 216321743 /nfs/dbraw/zinc/32/17/43/216321743.db2.gz ZLBHIEOEENCBGP-SJLPKXTDSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860381 216321746 /nfs/dbraw/zinc/32/17/46/216321746.db2.gz ZLBHIEOEENCBGP-SJLPKXTDSA-N 2 2 326.444 1.937 20 30 EDEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072860381 216321749 /nfs/dbraw/zinc/32/17/49/216321749.db2.gz ZLBHIEOEENCBGP-SJLPKXTDSA-N 2 2 326.444 1.937 20 30 EDEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342786933 250010208 /nfs/dbraw/zinc/01/02/08/250010208.db2.gz WHZDIPSQWBFDAR-MSOLQXFVSA-N 2 2 326.444 1.613 20 30 EDEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000346239410 250041668 /nfs/dbraw/zinc/04/16/68/250041668.db2.gz FKWVPKJOQAHXQE-AWEZNQCLSA-N 2 2 343.431 1.163 20 30 EDEDLP C#CCSCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376148891 250285178 /nfs/dbraw/zinc/28/51/78/250285178.db2.gz GYKBMRUZQQDCAY-HNNXBMFYSA-N 2 2 338.521 1.163 20 30 EDEDLP C#CCSCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376148891 250285181 /nfs/dbraw/zinc/28/51/81/250285181.db2.gz GYKBMRUZQQDCAY-HNNXBMFYSA-N 2 2 338.521 1.163 20 30 EDEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000571462231 306566613 /nfs/dbraw/zinc/56/66/13/306566613.db2.gz NFAYJQWLOCZWJE-UHFFFAOYSA-N 2 2 344.459 1.712 20 30 EDEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367205791 154040278 /nfs/dbraw/zinc/04/02/78/154040278.db2.gz LJMSJXXNFVUYLE-QGZVFWFLSA-N 2 2 344.434 1.938 20 30 EDEDLP CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367205791 154040280 /nfs/dbraw/zinc/04/02/80/154040280.db2.gz LJMSJXXNFVUYLE-QGZVFWFLSA-N 2 2 344.434 1.938 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162514035 287131543 /nfs/dbraw/zinc/13/15/43/287131543.db2.gz YIQBXAXBPBDKIA-YJBOKZPZSA-N 2 2 326.444 1.858 20 30 EDEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162514035 287131544 /nfs/dbraw/zinc/13/15/44/287131544.db2.gz YIQBXAXBPBDKIA-YJBOKZPZSA-N 2 2 326.444 1.858 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000439447143 270013410 /nfs/dbraw/zinc/01/34/10/270013410.db2.gz XLRPNROVTGTODD-UHFFFAOYSA-N 2 2 349.862 1.871 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528485212 268301968 /nfs/dbraw/zinc/30/19/68/268301968.db2.gz LLROHNOTVZUFRV-SJLPKXTDSA-N 2 2 339.395 1.846 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528485212 268301970 /nfs/dbraw/zinc/30/19/70/268301970.db2.gz LLROHNOTVZUFRV-SJLPKXTDSA-N 2 2 339.395 1.846 20 30 EDEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1=O ZINC000544031408 306072111 /nfs/dbraw/zinc/07/21/11/306072111.db2.gz GAWUTZDXEHSDPQ-CQSZACIVSA-N 2 2 329.429 1.634 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000081644395 441299497 /nfs/dbraw/zinc/29/94/97/441299497.db2.gz JZYNGWMQBFRWMT-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000081644395 441299500 /nfs/dbraw/zinc/29/95/00/441299500.db2.gz JZYNGWMQBFRWMT-UHFFFAOYSA-N 2 2 329.444 1.295 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@H](SC)C1 ZINC000088250253 441501454 /nfs/dbraw/zinc/50/14/54/441501454.db2.gz XYKKZECPVRNOQJ-OCCSQVGLSA-N 2 2 338.525 1.825 20 30 EDEDLP CCOCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000181634736 442707702 /nfs/dbraw/zinc/70/77/02/442707702.db2.gz JZGXEWJYCPCPKX-UHFFFAOYSA-N 2 2 334.464 1.520 20 30 EDEDLP CCOCCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000181634736 442707704 /nfs/dbraw/zinc/70/77/04/442707704.db2.gz JZGXEWJYCPCPKX-UHFFFAOYSA-N 2 2 334.464 1.520 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188083077 442709303 /nfs/dbraw/zinc/70/93/03/442709303.db2.gz TZXONNVDVYMTDO-UHFFFAOYSA-N 2 2 340.471 1.732 20 30 EDEDLP CCc1nnc(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)c1CC ZINC000268244765 442916032 /nfs/dbraw/zinc/91/60/32/442916032.db2.gz YFNLAOKUNOXZCG-UHFFFAOYSA-N 2 2 330.480 1.911 20 30 EDEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264056203 443247027 /nfs/dbraw/zinc/24/70/27/443247027.db2.gz AXLBXDREQOTHLS-SJLPKXTDSA-N 3 2 347.507 1.687 20 30 EDEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264056203 443247030 /nfs/dbraw/zinc/24/70/30/443247030.db2.gz AXLBXDREQOTHLS-SJLPKXTDSA-N 3 2 347.507 1.687 20 30 EDEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191286092 443271794 /nfs/dbraw/zinc/27/17/94/443271794.db2.gz POICXGZLOHQBMM-IAGOWNOFSA-N 2 2 329.492 1.887 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266918694 443290988 /nfs/dbraw/zinc/29/09/88/443290988.db2.gz LJVFMTZJGNTQBC-CVEARBPZSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266918694 443290990 /nfs/dbraw/zinc/29/09/90/443290990.db2.gz LJVFMTZJGNTQBC-CVEARBPZSA-N 2 2 326.400 1.901 20 30 EDEDLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1OCCCC#N ZINC000269847109 443454707 /nfs/dbraw/zinc/45/47/07/443454707.db2.gz WXSDUPGCAIVCHU-SFHVURJKSA-N 2 2 335.448 1.780 20 30 EDEDLP COCCCCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000270437675 443471398 /nfs/dbraw/zinc/47/13/98/443471398.db2.gz HYOMAALNKULVOM-UHFFFAOYSA-N 2 2 348.491 1.910 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285515015 444012483 /nfs/dbraw/zinc/01/24/83/444012483.db2.gz KATGHMLUBLAWPI-FXAWDEMLSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285515015 444012488 /nfs/dbraw/zinc/01/24/88/444012488.db2.gz KATGHMLUBLAWPI-FXAWDEMLSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285515015 444012491 /nfs/dbraw/zinc/01/24/91/444012491.db2.gz KATGHMLUBLAWPI-FXAWDEMLSA-N 2 2 325.456 1.722 20 30 EDEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285515015 444012496 /nfs/dbraw/zinc/01/24/96/444012496.db2.gz KATGHMLUBLAWPI-FXAWDEMLSA-N 2 2 325.456 1.722 20 30 EDEDLP NC(=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000289439430 444144895 /nfs/dbraw/zinc/14/48/95/444144895.db2.gz TUAISZBONFCUMM-IRXDYDNUSA-N 2 2 333.432 1.745 20 30 EDEDLP C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285980082 444167907 /nfs/dbraw/zinc/16/79/07/444167907.db2.gz FGQUJADALLIVOA-UHFFFAOYSA-N 2 2 329.444 1.801 20 30 EDEDLP C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285980082 444167910 /nfs/dbraw/zinc/16/79/10/444167910.db2.gz FGQUJADALLIVOA-UHFFFAOYSA-N 2 2 329.444 1.801 20 30 EDEDLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328982602 444433641 /nfs/dbraw/zinc/43/36/41/444433641.db2.gz YOMKJQAUCOAFBX-SJLPKXTDSA-N 2 2 345.491 1.496 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328982602 444433646 /nfs/dbraw/zinc/43/36/46/444433646.db2.gz YOMKJQAUCOAFBX-SJLPKXTDSA-N 2 2 345.491 1.496 20 30 EDEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331689339 444482636 /nfs/dbraw/zinc/48/26/36/444482636.db2.gz SXEHXUMWTVHWQR-GDBMZVCRSA-N 2 2 332.473 1.674 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329449281 444584032 /nfs/dbraw/zinc/58/40/32/444584032.db2.gz LHELPOGRZQPHAF-OAGGEKHMSA-N 2 2 347.463 1.155 20 30 EDEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329449281 444584035 /nfs/dbraw/zinc/58/40/35/444584035.db2.gz LHELPOGRZQPHAF-OAGGEKHMSA-N 2 2 347.463 1.155 20 30 EDEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329584613 444638305 /nfs/dbraw/zinc/63/83/05/444638305.db2.gz XXMMDFBMIRBYKN-OAHLLOKOSA-N 2 2 345.447 1.171 20 30 EDEDLP C[N@H+]1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329584613 444638307 /nfs/dbraw/zinc/63/83/07/444638307.db2.gz XXMMDFBMIRBYKN-OAHLLOKOSA-N 2 2 345.447 1.171 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341196331 444723341 /nfs/dbraw/zinc/72/33/41/444723341.db2.gz SUCOVUUZGDASSS-IAGOWNOFSA-N 2 2 336.480 1.141 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341196331 444723346 /nfs/dbraw/zinc/72/33/46/444723346.db2.gz SUCOVUUZGDASSS-IAGOWNOFSA-N 2 2 336.480 1.141 20 30 EDEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352854579 445560131 /nfs/dbraw/zinc/56/01/31/445560131.db2.gz QSJOXROOBCKUNW-CQSZACIVSA-N 2 2 326.366 1.912 20 30 EDEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352854579 445560134 /nfs/dbraw/zinc/56/01/34/445560134.db2.gz QSJOXROOBCKUNW-CQSZACIVSA-N 2 2 326.366 1.912 20 30 EDEDLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C#N)cc1F ZINC000358574274 445658087 /nfs/dbraw/zinc/65/80/87/445658087.db2.gz RSEUAQAZUPOPFE-MRXNPFEDSA-N 2 2 348.466 1.738 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3OCC#N)C2)CC1 ZINC000369274551 446041518 /nfs/dbraw/zinc/04/15/18/446041518.db2.gz QATLVVBHSBPSIR-OAHLLOKOSA-N 2 2 342.443 1.487 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3OCC#N)C2)CC1 ZINC000369274551 446041522 /nfs/dbraw/zinc/04/15/22/446041522.db2.gz QATLVVBHSBPSIR-OAHLLOKOSA-N 2 2 342.443 1.487 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367116496 446509584 /nfs/dbraw/zinc/50/95/84/446509584.db2.gz DEUKQFDZJFRIKN-DNVCBOLYSA-N 2 2 335.411 1.927 20 30 EDEDLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367116496 446509586 /nfs/dbraw/zinc/50/95/86/446509586.db2.gz DEUKQFDZJFRIKN-DNVCBOLYSA-N 2 2 335.411 1.927 20 30 EDEDLP N#Cc1ccc(F)c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000375810646 447070125 /nfs/dbraw/zinc/07/01/25/447070125.db2.gz GLMMWXAUJRNYMM-UHFFFAOYSA-N 2 2 333.407 1.356 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000372656447 447208281 /nfs/dbraw/zinc/20/82/81/447208281.db2.gz SEQHIVRKAOSGMO-QGZVFWFLSA-N 2 2 341.459 1.526 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000372656447 447208284 /nfs/dbraw/zinc/20/82/84/447208284.db2.gz SEQHIVRKAOSGMO-QGZVFWFLSA-N 2 2 341.459 1.526 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490914839 447908774 /nfs/dbraw/zinc/90/87/74/447908774.db2.gz JPCXLTDGMOUITK-AWEZNQCLSA-N 2 2 330.388 1.023 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491022419 447918004 /nfs/dbraw/zinc/91/80/04/447918004.db2.gz QWUZSFMMMNKFQU-KBPBESRZSA-N 2 2 331.382 1.427 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000491022419 447918009 /nfs/dbraw/zinc/91/80/09/447918009.db2.gz QWUZSFMMMNKFQU-KBPBESRZSA-N 2 2 331.382 1.427 20 30 EDEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000555099984 448062998 /nfs/dbraw/zinc/06/29/98/448062998.db2.gz LDTOOIDJLHBYOV-UHFFFAOYSA-N 2 2 347.488 1.391 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000491765167 448112942 /nfs/dbraw/zinc/11/29/42/448112942.db2.gz DSFWTKWIIIAQQR-INIZCTEOSA-N 2 2 329.419 1.392 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000491765167 448112948 /nfs/dbraw/zinc/11/29/48/448112948.db2.gz DSFWTKWIIIAQQR-INIZCTEOSA-N 2 2 329.419 1.392 20 30 EDEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000516014748 448368836 /nfs/dbraw/zinc/36/88/36/448368836.db2.gz AYSALCGJPAYYHS-IBGZPJMESA-N 2 2 348.466 1.586 20 30 EDEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000577840155 448398617 /nfs/dbraw/zinc/39/86/17/448398617.db2.gz RNIHZURUWYVXMZ-QGPMSJSTSA-N 2 2 342.443 1.410 20 30 EDEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000591756780 448481993 /nfs/dbraw/zinc/48/19/93/448481993.db2.gz DCHWOOIZBZDQIT-VQIMIIECSA-N 2 2 345.491 1.403 20 30 EDEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597989342 449172884 /nfs/dbraw/zinc/17/28/84/449172884.db2.gz DXXZTEMYXROBDG-GOSISDBHSA-N 2 2 341.459 1.240 20 30 EDEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597989342 449172890 /nfs/dbraw/zinc/17/28/90/449172890.db2.gz DXXZTEMYXROBDG-GOSISDBHSA-N 2 2 341.459 1.240 20 30 EDEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000600739266 449527482 /nfs/dbraw/zinc/52/74/82/449527482.db2.gz AVAUHAFXMKEYPM-INIZCTEOSA-N 2 2 326.400 1.621 20 30 EDEDLP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)([NH+]2CCCCC2)CC1 ZINC000594439473 449517457 /nfs/dbraw/zinc/51/74/57/449517457.db2.gz QWJOCDOYBWLTEA-KRWDZBQOSA-N 3 2 349.523 1.464 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000600724554 449518788 /nfs/dbraw/zinc/51/87/88/449518788.db2.gz AXXAYISZADTFBE-HZPDHXFCSA-N 2 2 326.400 1.662 20 30 EDEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898549 449905808 /nfs/dbraw/zinc/90/58/08/449905808.db2.gz GHAOTOZCKYDCSE-SFHVURJKSA-N 2 2 346.475 1.374 20 30 EDEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898549 449905809 /nfs/dbraw/zinc/90/58/09/449905809.db2.gz GHAOTOZCKYDCSE-SFHVURJKSA-N 2 2 346.475 1.374 20 30 EDEDLP N#CC1(CCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCOCC1 ZINC000619620995 450285576 /nfs/dbraw/zinc/28/55/76/450285576.db2.gz BSFOKQAWSFYUSL-KRWDZBQOSA-N 2 2 348.491 1.501 20 30 EDEDLP N#CC1(CCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCOCC1 ZINC000619620995 450285583 /nfs/dbraw/zinc/28/55/83/450285583.db2.gz BSFOKQAWSFYUSL-KRWDZBQOSA-N 2 2 348.491 1.501 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000730095427 578613666 /nfs/dbraw/zinc/61/36/66/578613666.db2.gz BGVVLKGJSZCCCR-KRWDZBQOSA-N 2 2 333.476 1.235 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000730095427 578613667 /nfs/dbraw/zinc/61/36/67/578613667.db2.gz BGVVLKGJSZCCCR-KRWDZBQOSA-N 2 2 333.476 1.235 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)Cc2ccc(C)cc2)CC1 ZINC000748818073 579701601 /nfs/dbraw/zinc/70/16/01/579701601.db2.gz QYQDNAMZMPIXIX-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)Cc2ccc(C)cc2)CC1 ZINC000748818073 579701602 /nfs/dbraw/zinc/70/16/02/579701602.db2.gz QYQDNAMZMPIXIX-UHFFFAOYSA-N 2 2 327.472 1.984 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000748821159 579702145 /nfs/dbraw/zinc/70/21/45/579702145.db2.gz JRDOXKVUOFXLTJ-SFHVURJKSA-N 2 2 327.472 1.635 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)CC1 ZINC000748821159 579702147 /nfs/dbraw/zinc/70/21/47/579702147.db2.gz JRDOXKVUOFXLTJ-SFHVURJKSA-N 2 2 327.472 1.635 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750241520 579756665 /nfs/dbraw/zinc/75/66/65/579756665.db2.gz GKPPPWZLBDRIOE-UHFFFAOYSA-N 2 2 345.447 1.161 20 30 EDEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000763954617 580109104 /nfs/dbraw/zinc/10/91/04/580109104.db2.gz QHUBFFZTPXMWDF-UHFFFAOYSA-N 2 2 335.423 1.596 20 30 EDEDLP C#C[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H]1CCCO1 ZINC000775793841 580400918 /nfs/dbraw/zinc/40/09/18/580400918.db2.gz FUARLAPCUIZWGH-JTDSTZFVSA-N 2 2 327.428 1.784 20 30 EDEDLP CC(=NNCCC[NH+]1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000799489177 581029337 /nfs/dbraw/zinc/02/93/37/581029337.db2.gz QBKVABZEJNAANZ-UHFFFAOYSA-N 2 2 327.432 1.908 20 30 EDEDLP C#CC[NH+]1CCC(Nc2[nH+]cnc3c2c(Br)nn3C)CC1 ZINC000895807673 591277873 /nfs/dbraw/zinc/27/78/73/591277873.db2.gz RGSBYQKKAJJARG-UHFFFAOYSA-N 2 2 349.236 1.635 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900688696 592095303 /nfs/dbraw/zinc/09/53/03/592095303.db2.gz BHVYRUOEPKYORK-UHFFFAOYSA-N 2 2 337.427 1.386 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661457 592270510 /nfs/dbraw/zinc/27/05/10/592270510.db2.gz QPNSFEDJWKFLEI-QCECMTGHSA-N 2 2 344.503 1.991 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C#N)CC4CCC3CC4)C2)CC1 ZINC000906661457 592270512 /nfs/dbraw/zinc/27/05/12/592270512.db2.gz QPNSFEDJWKFLEI-QCECMTGHSA-N 2 2 344.503 1.991 20 30 EDEDLP COC(=O)N1C/C(=C/c2c[nH+]cn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901462195 592370313 /nfs/dbraw/zinc/37/03/13/592370313.db2.gz RTHRQMKWNSSPBO-FQCPIAEUSA-N 2 2 341.371 1.272 20 30 EDEDLP C[C@H](N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1 ZINC000819816912 593770705 /nfs/dbraw/zinc/77/07/05/593770705.db2.gz RXGIBPHJXKLGRP-AWEZNQCLSA-N 2 2 325.420 1.308 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000829672515 594237920 /nfs/dbraw/zinc/23/79/20/594237920.db2.gz GBLOIBPDUVCFIM-IRXDYDNUSA-N 2 2 335.492 1.337 20 30 EDEDLP C#CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000829804650 594268100 /nfs/dbraw/zinc/26/81/00/594268100.db2.gz JKYWFZRVZNRALM-QGZVFWFLSA-N 2 2 329.444 1.659 20 30 EDEDLP COC(=O)C1(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000853658150 595847968 /nfs/dbraw/zinc/84/79/68/595847968.db2.gz NEFUSYUNPMHRSM-UHFFFAOYSA-N 2 2 347.415 1.109 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1O ZINC000866262541 596841479 /nfs/dbraw/zinc/84/14/79/596841479.db2.gz BMIYZCJBVUMCFH-AWEZNQCLSA-N 2 2 344.459 1.857 20 30 EDEDLP Cc1cccc(C#N)c1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000872505384 596940446 /nfs/dbraw/zinc/94/04/46/596940446.db2.gz QMMCDTOHTIOTNA-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP Cc1cccc(C#N)c1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000872505384 596940448 /nfs/dbraw/zinc/94/04/48/596940448.db2.gz QMMCDTOHTIOTNA-UHFFFAOYSA-N 2 2 338.477 1.029 20 30 EDEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC000992853586 695409220 /nfs/dbraw/zinc/40/92/20/695409220.db2.gz KJPYLCHXARCKCR-RYQLBKOJSA-N 2 2 349.438 1.731 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939208498 699354485 /nfs/dbraw/zinc/35/44/85/699354485.db2.gz CRRMQSNVOGYZFF-JOYOIKCWSA-N 2 2 327.226 1.297 20 30 EDEDLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031977691 702030896 /nfs/dbraw/zinc/03/08/96/702030896.db2.gz GKCJRIRMEBXZEA-SUMWQHHRSA-N 2 2 344.434 1.443 20 30 EDEDLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031977691 702030905 /nfs/dbraw/zinc/03/09/05/702030905.db2.gz GKCJRIRMEBXZEA-SUMWQHHRSA-N 2 2 344.434 1.443 20 30 EDEDLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000996462326 702790076 /nfs/dbraw/zinc/79/00/76/702790076.db2.gz SWEFJHKXKSIJDI-INIZCTEOSA-N 2 2 337.427 1.851 20 30 EDEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391438 707767193 /nfs/dbraw/zinc/76/71/93/707767193.db2.gz RVXMCOBCUWGCJZ-CQSZACIVSA-N 2 2 344.297 1.770 20 30 EDEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391438 707767197 /nfs/dbraw/zinc/76/71/97/707767197.db2.gz RVXMCOBCUWGCJZ-CQSZACIVSA-N 2 2 344.297 1.770 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378821 710298148 /nfs/dbraw/zinc/29/81/48/710298148.db2.gz VRHPNIFMSNVWGZ-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378821 710298150 /nfs/dbraw/zinc/29/81/50/710298150.db2.gz VRHPNIFMSNVWGZ-GOSISDBHSA-N 2 2 333.476 1.091 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003631668 710460633 /nfs/dbraw/zinc/46/06/33/710460633.db2.gz UNLBYRFAUFSFKQ-RISCZKNCSA-N 2 2 344.297 1.673 20 30 EDEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003631668 710460634 /nfs/dbraw/zinc/46/06/34/710460634.db2.gz UNLBYRFAUFSFKQ-RISCZKNCSA-N 2 2 344.297 1.673 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700124 710800971 /nfs/dbraw/zinc/80/09/71/710800971.db2.gz BKTAPXPNTIQZAM-KZNAEPCWSA-N 2 2 333.476 1.138 20 30 EDEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700124 710800975 /nfs/dbraw/zinc/80/09/75/710800975.db2.gz BKTAPXPNTIQZAM-KZNAEPCWSA-N 2 2 333.476 1.138 20 30 EDEDLP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000329845795 539467966 /nfs/dbraw/zinc/46/79/66/539467966.db2.gz ORLBJZNFLWDCIO-AWEZNQCLSA-N 2 2 335.452 1.191 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)CC1 ZINC000374352825 250260722 /nfs/dbraw/zinc/26/07/22/250260722.db2.gz SPXMLVRHCLIKCB-SFHVURJKSA-N 2 2 341.455 1.513 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000490917680 255108532 /nfs/dbraw/zinc/10/85/32/255108532.db2.gz YVWKLIRCTUGRFR-AWEZNQCLSA-N 2 2 333.407 1.262 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000491731086 255146251 /nfs/dbraw/zinc/14/62/51/255146251.db2.gz KEIHVEPUJUBKIT-IBGZPJMESA-N 2 2 345.487 1.045 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000491731086 255146253 /nfs/dbraw/zinc/14/62/53/255146253.db2.gz KEIHVEPUJUBKIT-IBGZPJMESA-N 2 2 345.487 1.045 20 30 EDEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NCCF ZINC000282831167 267180384 /nfs/dbraw/zinc/18/03/84/267180384.db2.gz SFILYZYAVGIMHH-AWEZNQCLSA-N 2 2 332.423 1.586 20 30 EDEDLP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129218256 268278220 /nfs/dbraw/zinc/27/82/20/268278220.db2.gz CYACXZCXZJEKFH-INIZCTEOSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129218256 268278222 /nfs/dbraw/zinc/27/82/22/268278222.db2.gz CYACXZCXZJEKFH-INIZCTEOSA-N 2 2 342.443 1.541 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415782 268300464 /nfs/dbraw/zinc/30/04/64/268300464.db2.gz DZDQZGCTLWPFQS-JKSUJKDBSA-N 2 2 326.400 1.901 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415782 268300465 /nfs/dbraw/zinc/30/04/65/268300465.db2.gz DZDQZGCTLWPFQS-JKSUJKDBSA-N 2 2 326.400 1.901 20 30 EDEDLP C[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177115709 442299340 /nfs/dbraw/zinc/29/93/40/442299340.db2.gz IKMPHOQVENIRCG-OAHLLOKOSA-N 2 2 344.459 1.468 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000155675804 442418161 /nfs/dbraw/zinc/41/81/61/442418161.db2.gz VTVMDKVQNOPDPP-OAHLLOKOSA-N 2 2 347.488 1.270 20 30 EDEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000155675804 442418164 /nfs/dbraw/zinc/41/81/64/442418164.db2.gz VTVMDKVQNOPDPP-OAHLLOKOSA-N 2 2 347.488 1.270 20 30 EDEDLP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262021373 443180678 /nfs/dbraw/zinc/18/06/78/443180678.db2.gz YVSWDSJUMQKABF-DAYGRLMNSA-N 2 2 345.447 1.842 20 30 EDEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261655958 443163173 /nfs/dbraw/zinc/16/31/73/443163173.db2.gz ADFPKOVEIJSOPV-ZBFHGGJFSA-N 3 2 329.452 1.547 20 30 EDEDLP C[C@@H]1OCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000278650336 443390759 /nfs/dbraw/zinc/39/07/59/443390759.db2.gz DVQZCZRJTMQSLA-KXBFYZLASA-N 2 2 329.444 1.652 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000321815455 444337689 /nfs/dbraw/zinc/33/76/89/444337689.db2.gz CEARMNQQXLTJTL-OAHLLOKOSA-N 2 2 333.457 1.406 20 30 EDEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000321815455 444337691 /nfs/dbraw/zinc/33/76/91/444337691.db2.gz CEARMNQQXLTJTL-OAHLLOKOSA-N 2 2 333.457 1.406 20 30 EDEDLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328982601 444433280 /nfs/dbraw/zinc/43/32/80/444433280.db2.gz YOMKJQAUCOAFBX-AEFFLSMTSA-N 2 2 345.491 1.496 20 30 EDEDLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328982601 444433283 /nfs/dbraw/zinc/43/32/83/444433283.db2.gz YOMKJQAUCOAFBX-AEFFLSMTSA-N 2 2 345.491 1.496 20 30 EDEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000329371935 444553262 /nfs/dbraw/zinc/55/32/62/444553262.db2.gz JDRZSHWXKNOEIA-GJZGRUSLSA-N 2 2 338.496 1.474 20 30 EDEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330011425 444810512 /nfs/dbraw/zinc/81/05/12/444810512.db2.gz IXPMSPPKVJHCGN-ZDUSSCGKSA-N 2 2 339.403 1.739 20 30 EDEDLP C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000329964052 444789267 /nfs/dbraw/zinc/78/92/67/444789267.db2.gz UHKVEHOUUMACCF-KBXCAEBGSA-N 2 2 337.464 1.450 20 30 EDEDLP C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000329964052 444789270 /nfs/dbraw/zinc/78/92/70/444789270.db2.gz UHKVEHOUUMACCF-KBXCAEBGSA-N 2 2 337.464 1.450 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000330205413 444887679 /nfs/dbraw/zinc/88/76/79/444887679.db2.gz CLUHNOBJYZATGI-CHWSQXEVSA-N 2 2 337.468 1.457 20 30 EDEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@H+]1C1CC1 ZINC000330205413 444887681 /nfs/dbraw/zinc/88/76/81/444887681.db2.gz CLUHNOBJYZATGI-CHWSQXEVSA-N 2 2 337.468 1.457 20 30 EDEDLP CO[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000359402018 446201809 /nfs/dbraw/zinc/20/18/09/446201809.db2.gz UCDYBQSXLQTIQO-LJQANCHMSA-N 2 2 329.444 1.918 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301556 446758391 /nfs/dbraw/zinc/75/83/91/446758391.db2.gz VCXYEMBAFANAIW-YYIAUSFCSA-N 2 2 336.480 1.178 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301556 446758394 /nfs/dbraw/zinc/75/83/94/446758394.db2.gz VCXYEMBAFANAIW-YYIAUSFCSA-N 2 2 336.480 1.178 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000491164930 447944763 /nfs/dbraw/zinc/94/47/63/447944763.db2.gz GVKAHXQXEIABSE-UXHICEINSA-N 2 2 343.471 1.112 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491252361 447973316 /nfs/dbraw/zinc/97/33/16/447973316.db2.gz HPOWWRYDSGWDFJ-AWEZNQCLSA-N 2 2 330.388 1.023 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491749361 448102817 /nfs/dbraw/zinc/10/28/17/448102817.db2.gz ZCIFKUHUKZBYHR-MRXNPFEDSA-N 2 2 329.444 1.089 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491749361 448102825 /nfs/dbraw/zinc/10/28/25/448102825.db2.gz ZCIFKUHUKZBYHR-MRXNPFEDSA-N 2 2 329.444 1.089 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000558750228 448203148 /nfs/dbraw/zinc/20/31/48/448203148.db2.gz CCCWMVOIRGQWDT-QGZVFWFLSA-N 2 2 339.443 1.607 20 30 EDEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cnc12 ZINC000582676432 448310708 /nfs/dbraw/zinc/31/07/08/448310708.db2.gz HTKXTUFFPPJSJG-KRWDZBQOSA-N 2 2 340.431 1.288 20 30 EDEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cnc12 ZINC000582676432 448310712 /nfs/dbraw/zinc/31/07/12/448310712.db2.gz HTKXTUFFPPJSJG-KRWDZBQOSA-N 2 2 340.431 1.288 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000516014749 448369656 /nfs/dbraw/zinc/36/96/56/448369656.db2.gz AYSALCGJPAYYHS-LJQANCHMSA-N 2 2 348.466 1.586 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000567692683 448738317 /nfs/dbraw/zinc/73/83/17/448738317.db2.gz ZZGBXEZMTFRKPF-RBUKOAKNSA-N 2 2 330.476 1.447 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000567692683 448738321 /nfs/dbraw/zinc/73/83/21/448738321.db2.gz ZZGBXEZMTFRKPF-RBUKOAKNSA-N 2 2 330.476 1.447 20 30 EDEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000575116742 449039211 /nfs/dbraw/zinc/03/92/11/449039211.db2.gz LOWMFBPDYRTCJK-GOSISDBHSA-N 2 2 327.432 1.227 20 30 EDEDLP N#CCCn1ncc2c1nc[nH+]c2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000601980046 449261090 /nfs/dbraw/zinc/26/10/90/449261090.db2.gz CAZGAEDORWYQBT-OAHLLOKOSA-N 2 2 325.420 1.708 20 30 EDEDLP CCc1nc(C#N)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000596174063 449396359 /nfs/dbraw/zinc/39/63/59/449396359.db2.gz HGDGSGBKAGBPIR-SJPCQFCGSA-N 2 2 340.475 1.658 20 30 EDEDLP CCc1nc(C#N)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000596174063 449396360 /nfs/dbraw/zinc/39/63/60/449396360.db2.gz HGDGSGBKAGBPIR-SJPCQFCGSA-N 2 2 340.475 1.658 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600757346 449536641 /nfs/dbraw/zinc/53/66/41/449536641.db2.gz SPINZYRZYHBGIB-QZTJIDSGSA-N 2 2 329.444 1.904 20 30 EDEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600757346 449536646 /nfs/dbraw/zinc/53/66/46/449536646.db2.gz SPINZYRZYHBGIB-QZTJIDSGSA-N 2 2 329.444 1.904 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714578 449511830 /nfs/dbraw/zinc/51/18/30/449511830.db2.gz NMBOJKRJMLHPPQ-QZTJIDSGSA-N 2 2 347.459 1.244 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600714578 449511841 /nfs/dbraw/zinc/51/18/41/449511841.db2.gz NMBOJKRJMLHPPQ-QZTJIDSGSA-N 2 2 347.459 1.244 20 30 EDEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435276 449515250 /nfs/dbraw/zinc/51/52/50/449515250.db2.gz AHVHMQLDDXCPBJ-CQSZACIVSA-N 2 2 331.420 1.576 20 30 EDEDLP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)([NH+]2CCCCC2)CC1 ZINC000594439474 449518591 /nfs/dbraw/zinc/51/85/91/449518591.db2.gz QWJOCDOYBWLTEA-QGZVFWFLSA-N 3 2 349.523 1.464 20 30 EDEDLP C[NH+](C)CCC[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000597247910 449894883 /nfs/dbraw/zinc/89/48/83/449894883.db2.gz IPJSWSZKHOQZGX-KRWDZBQOSA-N 2 2 327.432 1.749 20 30 EDEDLP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662682171 453402130 /nfs/dbraw/zinc/40/21/30/453402130.db2.gz HKUAAHDQQYEMKC-ICSRJNTNSA-N 2 2 343.471 1.874 20 30 EDEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329742659 485553690 /nfs/dbraw/zinc/55/36/90/485553690.db2.gz WQWXEDNAXNIMAU-GJZGRUSLSA-N 2 2 347.463 1.225 20 30 EDEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329742659 485553696 /nfs/dbraw/zinc/55/36/96/485553696.db2.gz WQWXEDNAXNIMAU-GJZGRUSLSA-N 2 2 347.463 1.225 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087805 526537708 /nfs/dbraw/zinc/53/77/08/526537708.db2.gz QFCDCVUBRODHTB-UHFFFAOYSA-N 2 2 330.476 1.038 20 30 EDEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087805 526537718 /nfs/dbraw/zinc/53/77/18/526537718.db2.gz QFCDCVUBRODHTB-UHFFFAOYSA-N 2 2 330.476 1.038 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123577468 528849266 /nfs/dbraw/zinc/84/92/66/528849266.db2.gz GUIQXZCLPQRZNI-CRAIPNDOSA-N 2 2 331.464 1.729 20 30 EDEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123577468 528849269 /nfs/dbraw/zinc/84/92/69/528849269.db2.gz GUIQXZCLPQRZNI-CRAIPNDOSA-N 2 2 331.464 1.729 20 30 EDEDLP N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000731151587 578668598 /nfs/dbraw/zinc/66/85/98/578668598.db2.gz NGHVNPAWRYNMDG-CQSZACIVSA-N 2 2 334.387 1.167 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000748813279 579700713 /nfs/dbraw/zinc/70/07/13/579700713.db2.gz LIOOXTVCHACWTA-IBGZPJMESA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000748813279 579700715 /nfs/dbraw/zinc/70/07/15/579700715.db2.gz LIOOXTVCHACWTA-IBGZPJMESA-N 2 2 343.446 1.610 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000748823267 579702307 /nfs/dbraw/zinc/70/23/07/579702307.db2.gz PRCXOHGVGKKRAB-LPHOPBHVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000748823267 579702309 /nfs/dbraw/zinc/70/23/09/579702309.db2.gz PRCXOHGVGKKRAB-LPHOPBHVSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000748824083 579702553 /nfs/dbraw/zinc/70/25/53/579702553.db2.gz HSJQSDSRSANUJK-VQIMIIECSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000748824083 579702555 /nfs/dbraw/zinc/70/25/55/579702555.db2.gz HSJQSDSRSANUJK-VQIMIIECSA-N 2 2 343.446 1.986 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000758192795 579976614 /nfs/dbraw/zinc/97/66/14/579976614.db2.gz QESDSMBKEUPGIG-WDSOQIARSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000758192795 579976615 /nfs/dbraw/zinc/97/66/15/579976615.db2.gz QESDSMBKEUPGIG-WDSOQIARSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000758192795 579976616 /nfs/dbraw/zinc/97/66/16/579976616.db2.gz QESDSMBKEUPGIG-WDSOQIARSA-N 2 2 325.456 1.863 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000758192795 579976617 /nfs/dbraw/zinc/97/66/17/579976617.db2.gz QESDSMBKEUPGIG-WDSOQIARSA-N 2 2 325.456 1.863 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000780252911 580517072 /nfs/dbraw/zinc/51/70/72/580517072.db2.gz MWMGHJXGOHLLIH-HNNXBMFYSA-N 2 2 332.452 1.110 20 30 EDEDLP C[C@@H]1[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@@H+]1C ZINC000905003148 592362851 /nfs/dbraw/zinc/36/28/51/592362851.db2.gz VSCWAVWFLPSXDP-CHWSQXEVSA-N 2 2 339.443 1.739 20 30 EDEDLP C[C@@H]1[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC[N@H+]1C ZINC000905003148 592362855 /nfs/dbraw/zinc/36/28/55/592362855.db2.gz VSCWAVWFLPSXDP-CHWSQXEVSA-N 2 2 339.443 1.739 20 30 EDEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000819751108 593766958 /nfs/dbraw/zinc/76/69/58/593766958.db2.gz PYQGOLNTNQYYDB-UHFFFAOYSA-N 2 2 328.420 1.615 20 30 EDEDLP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000823188088 594166563 /nfs/dbraw/zinc/16/65/63/594166563.db2.gz MUXZNWMSSDNSRP-GOSISDBHSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000823188088 594166565 /nfs/dbraw/zinc/16/65/65/594166565.db2.gz MUXZNWMSSDNSRP-GOSISDBHSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000823188088 594166566 /nfs/dbraw/zinc/16/65/66/594166566.db2.gz MUXZNWMSSDNSRP-GOSISDBHSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000823188088 594166567 /nfs/dbraw/zinc/16/65/67/594166567.db2.gz MUXZNWMSSDNSRP-GOSISDBHSA-N 2 2 329.444 1.341 20 30 EDEDLP C#CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000829804649 594268082 /nfs/dbraw/zinc/26/80/82/594268082.db2.gz JKYWFZRVZNRALM-KRWDZBQOSA-N 2 2 329.444 1.659 20 30 EDEDLP C#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052886 594319379 /nfs/dbraw/zinc/31/93/79/594319379.db2.gz PTPPYRHETORXHT-DLBZAZTESA-N 2 2 332.492 1.600 20 30 EDEDLP C#CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000826052886 594319381 /nfs/dbraw/zinc/31/93/81/594319381.db2.gz PTPPYRHETORXHT-DLBZAZTESA-N 2 2 332.492 1.600 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)ccc3F)C2)CC1 ZINC000827414219 594669780 /nfs/dbraw/zinc/66/97/80/594669780.db2.gz QQVDJTVLBOFMBR-CQSZACIVSA-N 2 2 330.407 1.596 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)ccc3F)C2)CC1 ZINC000827414219 594669781 /nfs/dbraw/zinc/66/97/81/594669781.db2.gz QQVDJTVLBOFMBR-CQSZACIVSA-N 2 2 330.407 1.596 20 30 EDEDLP O=C(C#CC1CC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000852856550 595578148 /nfs/dbraw/zinc/57/81/48/595578148.db2.gz AESIMVWATLPSDN-IBGZPJMESA-N 2 2 341.455 1.179 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866015854 596759366 /nfs/dbraw/zinc/75/93/66/596759366.db2.gz VJAXTNGQSSDNAG-CQSZACIVSA-N 2 2 327.419 1.567 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866015854 596759367 /nfs/dbraw/zinc/75/93/67/596759367.db2.gz VJAXTNGQSSDNAG-CQSZACIVSA-N 2 2 327.419 1.567 20 30 EDEDLP C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000880263410 597886871 /nfs/dbraw/zinc/88/68/71/597886871.db2.gz XPRITVMNRJTAQK-INIZCTEOSA-N 2 2 349.438 1.780 20 30 EDEDLP C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000880263410 597886872 /nfs/dbraw/zinc/88/68/72/597886872.db2.gz XPRITVMNRJTAQK-INIZCTEOSA-N 2 2 349.438 1.780 20 30 EDEDLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939856458 699995153 /nfs/dbraw/zinc/99/51/53/699995153.db2.gz MISQFXMJWDVSSG-GUYCJALGSA-N 2 2 341.390 1.531 20 30 EDEDLP C=C(Br)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939858579 699997485 /nfs/dbraw/zinc/99/74/85/699997485.db2.gz YZSZLXOEJJIZKD-PWSUYJOCSA-N 2 2 327.226 1.228 20 30 EDEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031667061 697448307 /nfs/dbraw/zinc/44/83/07/697448307.db2.gz WVFQBGXVUWLSGA-IBGZPJMESA-N 2 2 340.471 1.979 20 30 EDEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031667061 697448308 /nfs/dbraw/zinc/44/83/08/697448308.db2.gz WVFQBGXVUWLSGA-IBGZPJMESA-N 2 2 340.471 1.979 20 30 EDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031715354 697739416 /nfs/dbraw/zinc/73/94/16/697739416.db2.gz RYADVIJRKGULSF-LJQANCHMSA-N 2 2 340.471 1.981 20 30 EDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031715354 697739418 /nfs/dbraw/zinc/73/94/18/697739418.db2.gz RYADVIJRKGULSF-LJQANCHMSA-N 2 2 340.471 1.981 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2Cl)C1 ZINC001031741165 698313466 /nfs/dbraw/zinc/31/34/66/698313466.db2.gz PUDMOIFFLFZYPO-SFHVURJKSA-N 2 2 345.874 1.986 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2Cl)C1 ZINC001031741165 698313469 /nfs/dbraw/zinc/31/34/69/698313469.db2.gz PUDMOIFFLFZYPO-SFHVURJKSA-N 2 2 345.874 1.986 20 30 EDEDLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031777302 699163068 /nfs/dbraw/zinc/16/30/68/699163068.db2.gz ZXMBGKREJWDJGZ-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031777302 699163069 /nfs/dbraw/zinc/16/30/69/699163069.db2.gz ZXMBGKREJWDJGZ-GOSISDBHSA-N 2 2 344.434 1.730 20 30 EDEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621774 699758287 /nfs/dbraw/zinc/75/82/87/699758287.db2.gz DTAQMZOFRHMGEW-NOZJJQNGSA-N 2 2 341.253 1.606 20 30 EDEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809035 701200520 /nfs/dbraw/zinc/20/05/20/701200520.db2.gz RHWVPWMUKSZTHI-IEBWSBKVSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809035 701200523 /nfs/dbraw/zinc/20/05/23/701200523.db2.gz RHWVPWMUKSZTHI-IEBWSBKVSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809037 701201261 /nfs/dbraw/zinc/20/12/61/701201261.db2.gz RHWVPWMUKSZTHI-PKOBYXMFSA-N 2 2 336.439 1.761 20 30 EDEDLP C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809037 701201262 /nfs/dbraw/zinc/20/12/62/701201262.db2.gz RHWVPWMUKSZTHI-PKOBYXMFSA-N 2 2 336.439 1.761 20 30 EDEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943948435 701705388 /nfs/dbraw/zinc/70/53/88/701705388.db2.gz IJWLFZVPTNBGPS-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943948435 701705391 /nfs/dbraw/zinc/70/53/91/701705391.db2.gz IJWLFZVPTNBGPS-NVXWUHKLSA-N 2 2 337.427 1.731 20 30 EDEDLP N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130366 701840557 /nfs/dbraw/zinc/84/05/57/701840557.db2.gz MWTIBSGSKGCTLD-UHFFFAOYSA-N 2 2 342.418 1.341 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)C(C)(C)C1 ZINC000995926124 702253723 /nfs/dbraw/zinc/25/37/23/702253723.db2.gz TTWJXQAHWVQZHX-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)C(C)(C)C1 ZINC000995926124 702253730 /nfs/dbraw/zinc/25/37/30/702253730.db2.gz TTWJXQAHWVQZHX-DLBZAZTESA-N 2 2 344.459 1.407 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996193962 702620023 /nfs/dbraw/zinc/62/00/23/702620023.db2.gz WPJIDKCVAQDHRU-IRXDYDNUSA-N 2 2 335.492 1.642 20 30 EDEDLP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996193962 702620026 /nfs/dbraw/zinc/62/00/26/702620026.db2.gz WPJIDKCVAQDHRU-IRXDYDNUSA-N 2 2 335.492 1.642 20 30 EDEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997179151 703463172 /nfs/dbraw/zinc/46/31/72/703463172.db2.gz YAIDCTOYOMEIKL-NVXWUHKLSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997643065 703950647 /nfs/dbraw/zinc/95/06/47/703950647.db2.gz YAIDCTOYOMEIKL-DOTOQJQBSA-N 2 2 328.460 1.686 20 30 EDEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094763 705066333 /nfs/dbraw/zinc/06/63/33/705066333.db2.gz YVTOQDJSZFHZGF-DOTOQJQBSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094763 705066337 /nfs/dbraw/zinc/06/63/37/705066337.db2.gz YVTOQDJSZFHZGF-DOTOQJQBSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094763 705066344 /nfs/dbraw/zinc/06/63/44/705066344.db2.gz YVTOQDJSZFHZGF-DOTOQJQBSA-N 2 2 345.512 1.956 20 30 EDEDLP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000945094763 705066347 /nfs/dbraw/zinc/06/63/47/705066347.db2.gz YVTOQDJSZFHZGF-DOTOQJQBSA-N 2 2 345.512 1.956 20 30 EDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032634273 705879006 /nfs/dbraw/zinc/87/90/06/705879006.db2.gz IBUZHPRKWGLZAZ-BZSNNMDCSA-N 2 2 326.444 1.684 20 30 EDEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032634273 705879010 /nfs/dbraw/zinc/87/90/10/705879010.db2.gz IBUZHPRKWGLZAZ-BZSNNMDCSA-N 2 2 326.444 1.684 20 30 EDEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000998787810 706228703 /nfs/dbraw/zinc/22/87/03/706228703.db2.gz LTWSRLQJOWOIBY-RDHHWEPZSA-N 2 2 326.444 1.366 20 30 EDEDLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000999606526 707119956 /nfs/dbraw/zinc/11/99/56/707119956.db2.gz VLQRMOFGLSLBCU-UHFFFAOYSA-N 2 2 341.390 1.742 20 30 EDEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956873 709139193 /nfs/dbraw/zinc/13/91/93/709139193.db2.gz IDDYAMLYNICQLR-IRXDYDNUSA-N 2 2 328.460 1.700 20 30 EDEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033956873 709139194 /nfs/dbraw/zinc/13/91/94/709139194.db2.gz IDDYAMLYNICQLR-IRXDYDNUSA-N 2 2 328.460 1.700 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001034249613 709611171 /nfs/dbraw/zinc/61/11/71/709611171.db2.gz LVZBHPZBFOTKFH-AEFFLSMTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(C)o2)C1 ZINC001034249613 709611175 /nfs/dbraw/zinc/61/11/75/709611175.db2.gz LVZBHPZBFOTKFH-AEFFLSMTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnc(C)o2)C1 ZINC001034249613 709611178 /nfs/dbraw/zinc/61/11/78/709611178.db2.gz LVZBHPZBFOTKFH-AEFFLSMTSA-N 2 2 344.459 1.551 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnc(C)o2)C1 ZINC001034249613 709611181 /nfs/dbraw/zinc/61/11/81/709611181.db2.gz LVZBHPZBFOTKFH-AEFFLSMTSA-N 2 2 344.459 1.551 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403889 709951605 /nfs/dbraw/zinc/95/16/05/709951605.db2.gz DGQCXVVKPDLROJ-MRXNPFEDSA-N 2 2 344.459 1.878 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403889 709951607 /nfs/dbraw/zinc/95/16/07/709951607.db2.gz DGQCXVVKPDLROJ-MRXNPFEDSA-N 2 2 344.459 1.878 20 30 EDEDLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)s1 ZINC000424140111 252140416 /nfs/dbraw/zinc/14/04/16/252140416.db2.gz BDTIATBJHIVGIN-INIZCTEOSA-N 2 2 334.489 1.976 20 30 EDEDLP CN1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000424187407 252155963 /nfs/dbraw/zinc/15/59/63/252155963.db2.gz JPZURRGGTUHXSL-SFHVURJKSA-N 2 2 340.471 1.981 20 30 EDEDLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424183142 252156203 /nfs/dbraw/zinc/15/62/03/252156203.db2.gz IKMDNLJICAOYFD-UONOGXRCSA-N 2 2 331.420 1.148 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000424184228 252156808 /nfs/dbraw/zinc/15/68/08/252156808.db2.gz CTWNVFWITNHVMH-KCQAQPDRSA-N 2 2 338.452 1.798 20 30 EDEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000424184228 252156812 /nfs/dbraw/zinc/15/68/12/252156812.db2.gz CTWNVFWITNHVMH-KCQAQPDRSA-N 2 2 338.452 1.798 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000490759612 255105529 /nfs/dbraw/zinc/10/55/29/255105529.db2.gz DGNBBYPPQHGYAR-MRXNPFEDSA-N 2 2 329.444 1.465 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000490759612 255105530 /nfs/dbraw/zinc/10/55/30/255105530.db2.gz DGNBBYPPQHGYAR-MRXNPFEDSA-N 2 2 329.444 1.465 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000490922159 255109104 /nfs/dbraw/zinc/10/91/04/255109104.db2.gz BXPOXXLHOBJZJE-KRWDZBQOSA-N 2 2 335.398 1.783 20 30 EDEDLP C[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367460923 154133866 /nfs/dbraw/zinc/13/38/66/154133866.db2.gz MSPREZUXHGDHJP-ZDUSSCGKSA-N 2 2 344.419 1.466 20 30 EDEDLP C[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367460923 154133868 /nfs/dbraw/zinc/13/38/68/154133868.db2.gz MSPREZUXHGDHJP-ZDUSSCGKSA-N 2 2 344.419 1.466 20 30 EDEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875782 441304342 /nfs/dbraw/zinc/30/43/42/441304342.db2.gz HIMKMVANLBFJEG-SFHVURJKSA-N 2 2 331.464 1.729 20 30 EDEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000050033158 441371865 /nfs/dbraw/zinc/37/18/65/441371865.db2.gz HBBFTLQYKZNTFW-UHFFFAOYSA-N 2 2 336.439 1.893 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440875 442048508 /nfs/dbraw/zinc/04/85/08/442048508.db2.gz LDKUCKQRTPCLGX-MRXNPFEDSA-N 2 2 343.475 1.990 20 30 EDEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440875 442048514 /nfs/dbraw/zinc/04/85/14/442048514.db2.gz LDKUCKQRTPCLGX-MRXNPFEDSA-N 2 2 343.475 1.990 20 30 EDEDLP CCOCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000178585817 442445928 /nfs/dbraw/zinc/44/59/28/442445928.db2.gz PWIBCXWFXKSZBE-UHFFFAOYSA-N 3 2 339.528 1.268 20 30 EDEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc[nH+]1 ZINC000134107317 442451252 /nfs/dbraw/zinc/45/12/52/442451252.db2.gz XDSCMEAJNSMVSJ-UHFFFAOYSA-N 2 2 340.406 1.876 20 30 EDEDLP N#Cc1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000157523503 442590230 /nfs/dbraw/zinc/59/02/30/442590230.db2.gz DDGSHGKQWMXJSF-UHFFFAOYSA-N 2 2 342.487 1.788 20 30 EDEDLP N#Cc1ccc(C[N@H+]2CCCN(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000157523503 442590237 /nfs/dbraw/zinc/59/02/37/442590237.db2.gz DDGSHGKQWMXJSF-UHFFFAOYSA-N 2 2 342.487 1.788 20 30 EDEDLP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262006028 443179220 /nfs/dbraw/zinc/17/92/20/443179220.db2.gz VQIBXKDSRRSPSO-ZIAGYGMSSA-N 2 2 342.451 1.079 20 30 EDEDLP C[NH+](CC#CC[N@H+](C)CCCn1cc[nH+]c1)CCCn1cc[nH+]c1 ZINC000276322517 443686862 /nfs/dbraw/zinc/68/68/62/443686862.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 4 2 328.464 1.427 20 30 EDEDLP C[NH+](CC#CC[N@@H+](C)CCCn1cc[nH+]c1)CCCn1cc[nH+]c1 ZINC000276322517 443686864 /nfs/dbraw/zinc/68/68/64/443686864.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 4 2 328.464 1.427 20 30 EDEDLP C[NH+](CC#CC[N@H+](C)CCCn1ccnc1)CCCn1cc[nH+]c1 ZINC000276322517 443686868 /nfs/dbraw/zinc/68/68/68/443686868.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 3 2 328.464 1.427 20 30 EDEDLP C[NH+](CC#CC[N@@H+](C)CCCn1ccnc1)CCCn1cc[nH+]c1 ZINC000276322517 443686870 /nfs/dbraw/zinc/68/68/70/443686870.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 3 2 328.464 1.427 20 30 EDEDLP C[NH+](CC#CC[N@H+](C)CCCn1cc[nH+]c1)CCCn1ccnc1 ZINC000276322517 443686872 /nfs/dbraw/zinc/68/68/72/443686872.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 3 2 328.464 1.427 20 30 EDEDLP C[NH+](CC#CC[N@@H+](C)CCCn1cc[nH+]c1)CCCn1ccnc1 ZINC000276322517 443686874 /nfs/dbraw/zinc/68/68/74/443686874.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 3 2 328.464 1.427 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000581001824 322123162 /nfs/dbraw/zinc/12/31/62/322123162.db2.gz WHCXROKFXIDHPI-SFHVURJKSA-N 2 2 341.459 1.385 20 30 EDEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329967117 444792228 /nfs/dbraw/zinc/79/22/28/444792228.db2.gz SHETVVXZKJBCCE-HZPDHXFCSA-N 2 2 348.495 1.497 20 30 EDEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329967117 444792233 /nfs/dbraw/zinc/79/22/33/444792233.db2.gz SHETVVXZKJBCCE-HZPDHXFCSA-N 2 2 348.495 1.497 20 30 EDEDLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330178479 444875210 /nfs/dbraw/zinc/87/52/10/444875210.db2.gz DSSGAQALXRUFKV-HNNXBMFYSA-N 2 2 347.463 1.288 20 30 EDEDLP Cc1cc(C[NH+]2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)on1 ZINC000330192801 444880420 /nfs/dbraw/zinc/88/04/20/444880420.db2.gz NXBGYGBXLSEPPO-AWEZNQCLSA-N 2 2 344.419 1.226 20 30 EDEDLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352463996 445531508 /nfs/dbraw/zinc/53/15/08/445531508.db2.gz NISUMCDHKWFTKA-MRXNPFEDSA-N 2 2 332.423 1.733 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650336 445574071 /nfs/dbraw/zinc/57/40/71/445574071.db2.gz QNKNEFCIAGNQOS-HNNXBMFYSA-N 2 2 336.480 1.106 20 30 EDEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650336 445574078 /nfs/dbraw/zinc/57/40/78/445574078.db2.gz QNKNEFCIAGNQOS-HNNXBMFYSA-N 2 2 336.480 1.106 20 30 EDEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1=O ZINC000369072649 445911481 /nfs/dbraw/zinc/91/14/81/445911481.db2.gz ONTPXXRUWJNKIO-KSZLIROESA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1=O ZINC000369072649 445911489 /nfs/dbraw/zinc/91/14/89/445911489.db2.gz ONTPXXRUWJNKIO-KSZLIROESA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1=O ZINC000369072649 445911495 /nfs/dbraw/zinc/91/14/95/445911495.db2.gz ONTPXXRUWJNKIO-KSZLIROESA-N 2 2 328.460 1.793 20 30 EDEDLP C=CCN1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1=O ZINC000369072649 445911501 /nfs/dbraw/zinc/91/15/01/445911501.db2.gz ONTPXXRUWJNKIO-KSZLIROESA-N 2 2 328.460 1.793 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000490839095 447898978 /nfs/dbraw/zinc/89/89/78/447898978.db2.gz GBLBNQSFJFTXNC-UHFFFAOYSA-N 2 2 343.471 1.349 20 30 EDEDLP C#CCNC(=O)CC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000491776480 448117412 /nfs/dbraw/zinc/11/74/12/448117412.db2.gz FTYUOHUALVFDLT-UHFFFAOYSA-N 2 2 331.382 1.521 20 30 EDEDLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000582482756 448249282 /nfs/dbraw/zinc/24/92/82/448249282.db2.gz TZYFAGJCCQIXBO-CPUCHLNUSA-N 2 2 333.432 1.127 20 30 EDEDLP N#CCC[C@H](C#N)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000572029738 448267376 /nfs/dbraw/zinc/26/73/76/448267376.db2.gz ZXHCYHRPKYJFED-MRXNPFEDSA-N 2 2 327.436 1.022 20 30 EDEDLP C[NH+]1CCN(c2ccc(NCc3cccc(F)c3C#N)[nH+]c2)CC1 ZINC000602005939 449271861 /nfs/dbraw/zinc/27/18/61/449271861.db2.gz IHWBIIJDKIMMQP-UHFFFAOYSA-N 2 2 325.391 2.456 20 30 EDEDLP CCc1nc(C#N)cc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000596279151 449453657 /nfs/dbraw/zinc/45/36/57/449453657.db2.gz WMDYZMWUPGAIME-UHFFFAOYSA-N 2 2 342.491 1.907 20 30 EDEDLP CCc1nc(C#N)cc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000596279151 449453665 /nfs/dbraw/zinc/45/36/65/449453665.db2.gz WMDYZMWUPGAIME-UHFFFAOYSA-N 2 2 342.491 1.907 20 30 EDEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000600715809 449513482 /nfs/dbraw/zinc/51/34/82/449513482.db2.gz BSLBYWVRWGYTTE-BRWVUGGUSA-N 2 2 339.480 1.147 20 30 EDEDLP C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193295 451228415 /nfs/dbraw/zinc/22/84/15/451228415.db2.gz BFLHUHOQEDMREZ-INIZCTEOSA-N 2 2 345.447 1.243 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370794 452560268 /nfs/dbraw/zinc/56/02/68/452560268.db2.gz PIRGLFAIISXOCK-OIISXLGYSA-N 2 2 336.480 1.188 20 30 EDEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370794 452560277 /nfs/dbraw/zinc/56/02/77/452560277.db2.gz PIRGLFAIISXOCK-OIISXLGYSA-N 2 2 336.480 1.188 20 30 EDEDLP N#Cc1ccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000729032376 578556886 /nfs/dbraw/zinc/55/68/86/578556886.db2.gz GGQSTILQAOCRBA-KRWDZBQOSA-N 2 2 329.444 1.858 20 30 EDEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000731150871 578668620 /nfs/dbraw/zinc/66/86/20/578668620.db2.gz JDUDYYHLYTURQC-DZGCQCFKSA-N 2 2 327.436 1.697 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000748824625 579702444 /nfs/dbraw/zinc/70/24/44/579702444.db2.gz NCBAESMNQJEKKX-QUCCMNQESA-N 2 2 339.483 1.889 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000748824625 579702445 /nfs/dbraw/zinc/70/24/45/579702445.db2.gz NCBAESMNQJEKKX-QUCCMNQESA-N 2 2 339.483 1.889 20 30 EDEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000755461638 579927551 /nfs/dbraw/zinc/92/75/51/579927551.db2.gz JRGJCEHHESWNJZ-UHFFFAOYSA-N 2 2 341.375 1.583 20 30 EDEDLP N#Cc1c2c(cn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1=O)CCC2 ZINC000766636470 580170878 /nfs/dbraw/zinc/17/08/78/580170878.db2.gz GGPBSHZKPQHGJC-UHFFFAOYSA-N 2 2 340.471 1.974 20 30 EDEDLP NC(=[NH+]OC[C@@H]1C[C@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227077 591949966 /nfs/dbraw/zinc/94/99/66/591949966.db2.gz VJRZQFBKQKSMQG-HKUYNNGSSA-N 2 2 345.443 1.582 20 30 EDEDLP CC(C)(O)C[NH+]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000814227092 593579186 /nfs/dbraw/zinc/57/91/86/593579186.db2.gz BTROWQLELKSWBJ-UHFFFAOYSA-N 2 2 329.408 1.297 20 30 EDEDLP C[NH+](C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000852871473 595590519 /nfs/dbraw/zinc/59/05/19/595590519.db2.gz PDTBQBYMTXBHRH-MRXNPFEDSA-N 2 2 335.398 1.687 20 30 EDEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000865632367 596633110 /nfs/dbraw/zinc/63/31/10/596633110.db2.gz OKDPEDKYXHHZMJ-GOSISDBHSA-N 2 2 328.460 1.967 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000879434215 597916045 /nfs/dbraw/zinc/91/60/45/597916045.db2.gz FZRKGVQVWXHCPS-MRXNPFEDSA-N 2 2 328.460 1.585 20 30 EDEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000879434215 597916048 /nfs/dbraw/zinc/91/60/48/597916048.db2.gz FZRKGVQVWXHCPS-MRXNPFEDSA-N 2 2 328.460 1.585 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031687050 697522803 /nfs/dbraw/zinc/52/28/03/697522803.db2.gz YNMKZIDGFARIMG-QGZVFWFLSA-N 2 2 331.464 1.804 20 30 EDEDLP C=C(C)CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031687050 697522805 /nfs/dbraw/zinc/52/28/05/697522805.db2.gz YNMKZIDGFARIMG-QGZVFWFLSA-N 2 2 331.464 1.804 20 30 EDEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031710964 697715791 /nfs/dbraw/zinc/71/57/91/697715791.db2.gz AYVFNOKWWCPNIP-HXUWFJFHSA-N 2 2 339.483 1.961 20 30 EDEDLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031710964 697715795 /nfs/dbraw/zinc/71/57/95/697715795.db2.gz AYVFNOKWWCPNIP-HXUWFJFHSA-N 2 2 339.483 1.961 20 30 EDEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563539 701584142 /nfs/dbraw/zinc/58/41/42/701584142.db2.gz HDYPWAYMXLIHGZ-INIZCTEOSA-N 2 2 343.475 1.234 20 30 EDEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(F)c1 ZINC000997412594 703668179 /nfs/dbraw/zinc/66/81/79/703668179.db2.gz HBWAZKSJZMYNHA-UHFFFAOYSA-N 2 2 341.390 1.675 20 30 EDEDLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)[NH+](C)C ZINC001032474676 703693603 /nfs/dbraw/zinc/69/36/03/703693603.db2.gz IBUZHPRKWGLZAZ-OKZBNKHCSA-N 2 2 326.444 1.684 20 30 EDEDLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032628113 705740734 /nfs/dbraw/zinc/74/07/34/705740734.db2.gz QPWKSISIFTYUTH-MNEFBYGVSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032628113 705740736 /nfs/dbraw/zinc/74/07/36/705740736.db2.gz QPWKSISIFTYUTH-MNEFBYGVSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032628113 705740738 /nfs/dbraw/zinc/74/07/38/705740738.db2.gz QPWKSISIFTYUTH-MNEFBYGVSA-N 2 2 338.455 1.685 20 30 EDEDLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032628113 705740740 /nfs/dbraw/zinc/74/07/40/705740740.db2.gz QPWKSISIFTYUTH-MNEFBYGVSA-N 2 2 338.455 1.685 20 30 EDEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999871058 707513436 /nfs/dbraw/zinc/51/34/36/707513436.db2.gz KUDWBGXACYSMJW-GPANFISMSA-N 2 2 341.883 1.429 20 30 EDEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001032725739 707713021 /nfs/dbraw/zinc/71/30/21/707713021.db2.gz SGBRGRCYPZENCB-CMKODMSKSA-N 2 2 325.456 1.772 20 30 EDEDLP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536648 707895076 /nfs/dbraw/zinc/89/50/76/707895076.db2.gz SHNIRLDXYAONOI-XHSDSOJGSA-N 2 2 341.883 1.240 20 30 EDEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536648 707895078 /nfs/dbraw/zinc/89/50/78/707895078.db2.gz SHNIRLDXYAONOI-XHSDSOJGSA-N 2 2 341.883 1.240 20 30 EDEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536648 707895079 /nfs/dbraw/zinc/89/50/79/707895079.db2.gz SHNIRLDXYAONOI-XHSDSOJGSA-N 2 2 341.883 1.240 20 30 EDEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490801 707985724 /nfs/dbraw/zinc/98/57/24/707985724.db2.gz XEGKFNXEUORILM-HNNXBMFYSA-N 2 2 339.871 1.344 20 30 EDEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490801 707985725 /nfs/dbraw/zinc/98/57/25/707985725.db2.gz XEGKFNXEUORILM-HNNXBMFYSA-N 2 2 339.871 1.344 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033656776 708426488 /nfs/dbraw/zinc/42/64/88/708426488.db2.gz FFSOXOGCJNGRFX-AWEZNQCLSA-N 2 2 332.473 1.748 20 30 EDEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033656776 708426490 /nfs/dbraw/zinc/42/64/90/708426490.db2.gz FFSOXOGCJNGRFX-AWEZNQCLSA-N 2 2 332.473 1.748 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001014768261 708989511 /nfs/dbraw/zinc/98/95/11/708989511.db2.gz ANDLQOYNZJAQCQ-GJZGRUSLSA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001014768261 708989513 /nfs/dbraw/zinc/98/95/13/708989513.db2.gz ANDLQOYNZJAQCQ-GJZGRUSLSA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001014768261 708989515 /nfs/dbraw/zinc/98/95/15/708989515.db2.gz ANDLQOYNZJAQCQ-GJZGRUSLSA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2scnc2C)C1 ZINC001014768261 708989517 /nfs/dbraw/zinc/98/95/17/708989517.db2.gz ANDLQOYNZJAQCQ-GJZGRUSLSA-N 2 2 332.473 1.240 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001005517473 709437506 /nfs/dbraw/zinc/43/75/06/709437506.db2.gz BXMFPOLOGWXNNG-KRWDZBQOSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001005517473 709437507 /nfs/dbraw/zinc/43/75/07/709437507.db2.gz BXMFPOLOGWXNNG-KRWDZBQOSA-N 2 2 344.459 1.503 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC001003056215 709905527 /nfs/dbraw/zinc/90/55/27/709905527.db2.gz NEBZAACIIWDFDS-SFHVURJKSA-N 2 2 344.459 1.470 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC001003056215 709905530 /nfs/dbraw/zinc/90/55/30/709905530.db2.gz NEBZAACIIWDFDS-SFHVURJKSA-N 2 2 344.459 1.470 20 30 EDEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403887 709951465 /nfs/dbraw/zinc/95/14/65/709951465.db2.gz DGQCXVVKPDLROJ-INIZCTEOSA-N 2 2 344.459 1.878 20 30 EDEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001034403887 709951467 /nfs/dbraw/zinc/95/14/67/709951467.db2.gz DGQCXVVKPDLROJ-INIZCTEOSA-N 2 2 344.459 1.878 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378822 710298103 /nfs/dbraw/zinc/29/81/03/710298103.db2.gz VRHPNIFMSNVWGZ-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378822 710298105 /nfs/dbraw/zinc/29/81/05/710298105.db2.gz VRHPNIFMSNVWGZ-SFHVURJKSA-N 2 2 333.476 1.091 20 30 EDEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001034663730 710333175 /nfs/dbraw/zinc/33/31/75/710333175.db2.gz KDIBJSCEOMNPLF-ZOBUZTSGSA-N 2 2 330.432 1.289 20 30 EDEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001034663730 710333178 /nfs/dbraw/zinc/33/31/78/710333178.db2.gz KDIBJSCEOMNPLF-ZOBUZTSGSA-N 2 2 330.432 1.289 20 30 EDEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001034890622 711346706 /nfs/dbraw/zinc/34/67/06/711346706.db2.gz FHJHYYHNWZUNSM-CZUORRHYSA-N 2 2 348.472 1.031 20 30 EDEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001034890622 711346707 /nfs/dbraw/zinc/34/67/07/711346707.db2.gz FHJHYYHNWZUNSM-CZUORRHYSA-N 2 2 348.472 1.031 20 30 EDEDLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000328662473 539345824 /nfs/dbraw/zinc/34/58/24/539345824.db2.gz AOGNQAYIKVXQOA-HZPDHXFCSA-N 2 2 331.464 1.896 20 30 EDEDLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000328662473 539345829 /nfs/dbraw/zinc/34/58/29/539345829.db2.gz AOGNQAYIKVXQOA-HZPDHXFCSA-N 2 2 331.464 1.896 20 30 EDEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000131188632 529983681 /nfs/dbraw/zinc/98/36/81/529983681.db2.gz NRNDLTFCMOGXRU-UHFFFAOYSA-N 2 2 336.443 1.732 20 30 EDEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000131188632 529983683 /nfs/dbraw/zinc/98/36/83/529983683.db2.gz NRNDLTFCMOGXRU-UHFFFAOYSA-N 2 2 336.443 1.732 20 30 EDEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345107196 250026282 /nfs/dbraw/zinc/02/62/82/250026282.db2.gz CBASAOYFUCAUIY-OAHLLOKOSA-N 2 2 336.480 1.416 20 30 EDEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000371045561 250210643 /nfs/dbraw/zinc/21/06/43/250210643.db2.gz VTTZVYZRYICUIM-HNNXBMFYSA-N 2 2 331.464 1.960 20 30 EDEDLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424164238 252151498 /nfs/dbraw/zinc/15/14/98/252151498.db2.gz YUGNVMXUGJTBNL-INIZCTEOSA-N 2 2 343.431 1.034 20 30 EDEDLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1F ZINC000424127139 252134603 /nfs/dbraw/zinc/13/46/03/252134603.db2.gz ASDGJMPKDJSWAO-MRXNPFEDSA-N 2 2 348.422 1.500 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)CC1 ZINC000490778196 255106477 /nfs/dbraw/zinc/10/64/77/255106477.db2.gz BNMYTINAOFJTDR-UHFFFAOYSA-N 3 2 348.535 1.208 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000490778196 255106478 /nfs/dbraw/zinc/10/64/78/255106478.db2.gz BNMYTINAOFJTDR-UHFFFAOYSA-N 3 2 348.535 1.208 20 30 EDEDLP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000339680355 142117589 /nfs/dbraw/zinc/11/75/89/142117589.db2.gz UGRPESQYYQZYKD-INIZCTEOSA-N 2 2 344.459 1.169 20 30 EDEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000346176310 143175374 /nfs/dbraw/zinc/17/53/74/143175374.db2.gz MOOJPAPYTQRIMN-UHFFFAOYSA-N 2 2 343.475 1.426 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429068 157288520 /nfs/dbraw/zinc/28/85/20/157288520.db2.gz NXNGOINGTFHDAJ-KURKYZTESA-N 2 2 342.443 1.680 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429068 157288523 /nfs/dbraw/zinc/28/85/23/157288523.db2.gz NXNGOINGTFHDAJ-KURKYZTESA-N 2 2 342.443 1.680 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429072 157288628 /nfs/dbraw/zinc/28/86/28/157288628.db2.gz NXNGOINGTFHDAJ-SQNIBIBYSA-N 2 2 342.443 1.680 20 30 EDEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(C#N)cc1 ZINC000374429072 157288631 /nfs/dbraw/zinc/28/86/31/157288631.db2.gz NXNGOINGTFHDAJ-SQNIBIBYSA-N 2 2 342.443 1.680 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579117 270016205 /nfs/dbraw/zinc/01/62/05/270016205.db2.gz BUIXONHZTPZMRC-RDJZCZTQSA-N 2 2 335.411 1.887 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000534579117 270016206 /nfs/dbraw/zinc/01/62/06/270016206.db2.gz BUIXONHZTPZMRC-RDJZCZTQSA-N 2 2 335.411 1.887 20 30 EDEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(C#N)n3)CC2)CC1 ZINC000302706471 266584188 /nfs/dbraw/zinc/58/41/88/266584188.db2.gz GXQQALYCTYUACS-UHFFFAOYSA-N 2 2 344.419 1.832 20 30 EDEDLP C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017375 447310428 /nfs/dbraw/zinc/31/04/28/447310428.db2.gz IWGQODWTXZUCNJ-QGZVFWFLSA-N 2 2 337.508 1.986 20 30 EDEDLP C=CCCO[C@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017375 447310431 /nfs/dbraw/zinc/31/04/31/447310431.db2.gz IWGQODWTXZUCNJ-QGZVFWFLSA-N 2 2 337.508 1.986 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944706 306009579 /nfs/dbraw/zinc/00/95/79/306009579.db2.gz QDONONYDCWGMAZ-UONOGXRCSA-N 2 2 341.440 1.948 20 30 EDEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944706 306009580 /nfs/dbraw/zinc/00/95/80/306009580.db2.gz QDONONYDCWGMAZ-UONOGXRCSA-N 2 2 341.440 1.948 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944707 306009684 /nfs/dbraw/zinc/00/96/84/306009684.db2.gz QDONONYDCWGMAZ-ZIAGYGMSSA-N 2 2 341.440 1.948 20 30 EDEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000534944707 306009685 /nfs/dbraw/zinc/00/96/85/306009685.db2.gz QDONONYDCWGMAZ-ZIAGYGMSSA-N 2 2 341.440 1.948 20 30 EDEDLP Cn1cc[nH+]c1N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000089926856 441596207 /nfs/dbraw/zinc/59/62/07/441596207.db2.gz IDBIRZDXHYUGHC-UHFFFAOYSA-N 2 2 325.416 1.883 20 30 EDEDLP COc1ccccc1CNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912483 442287138 /nfs/dbraw/zinc/28/71/38/442287138.db2.gz VCYINQVRTDYAKP-UHFFFAOYSA-N 2 2 336.399 1.880 20 30 EDEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCc2ccccc2C1 ZINC000262463339 443195268 /nfs/dbraw/zinc/19/52/68/443195268.db2.gz IQGHONNZYANBGD-INIZCTEOSA-N 2 2 340.475 1.709 20 30 EDEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278743130 443421981 /nfs/dbraw/zinc/42/19/81/443421981.db2.gz VQJJERJRNRSYOU-GOSISDBHSA-N 2 2 342.447 1.261 20 30 EDEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOCC3(CC3)C2)C1 ZINC000329434974 444577859 /nfs/dbraw/zinc/57/78/59/444577859.db2.gz IQTHWEOJEHEUPP-MRXNPFEDSA-N 2 2 339.480 1.412 20 30 EDEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCOCC3(CC3)C2)C1 ZINC000329434974 444577862 /nfs/dbraw/zinc/57/78/62/444577862.db2.gz IQTHWEOJEHEUPP-MRXNPFEDSA-N 2 2 339.480 1.412 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCOCC3(CC3)C2)C1 ZINC000329434974 444577866 /nfs/dbraw/zinc/57/78/66/444577866.db2.gz IQTHWEOJEHEUPP-MRXNPFEDSA-N 2 2 339.480 1.412 20 30 EDEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCOCC3(CC3)C2)C1 ZINC000329434974 444577869 /nfs/dbraw/zinc/57/78/69/444577869.db2.gz IQTHWEOJEHEUPP-MRXNPFEDSA-N 2 2 339.480 1.412 20 30 EDEDLP COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330023635 444813975 /nfs/dbraw/zinc/81/39/75/444813975.db2.gz IZHPEVOTOBTNGW-CQSZACIVSA-N 2 2 346.435 1.248 20 30 EDEDLP COCC[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330023635 444813978 /nfs/dbraw/zinc/81/39/78/444813978.db2.gz IZHPEVOTOBTNGW-CQSZACIVSA-N 2 2 346.435 1.248 20 30 EDEDLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000330044142 444823480 /nfs/dbraw/zinc/82/34/80/444823480.db2.gz CQYOEMQZKBFSBR-NVXWUHKLSA-N 2 2 339.480 1.555 20 30 EDEDLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000330044142 444823485 /nfs/dbraw/zinc/82/34/85/444823485.db2.gz CQYOEMQZKBFSBR-NVXWUHKLSA-N 2 2 339.480 1.555 20 30 EDEDLP N#CC1(F)CC[NH+](CCOCC[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352463041 445531395 /nfs/dbraw/zinc/53/13/95/445531395.db2.gz IARPPMPFDUCHCL-UHFFFAOYSA-N 2 2 326.391 1.658 20 30 EDEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364030368 445891535 /nfs/dbraw/zinc/89/15/35/445891535.db2.gz CYGLDTUYVMFRSX-INIZCTEOSA-N 2 2 328.460 1.158 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369647526 446139673 /nfs/dbraw/zinc/13/96/73/446139673.db2.gz KABZNKJOWCUNQG-KZNAEPCWSA-N 2 2 335.492 1.595 20 30 EDEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369647526 446139676 /nfs/dbraw/zinc/13/96/76/446139676.db2.gz KABZNKJOWCUNQG-KZNAEPCWSA-N 2 2 335.492 1.595 20 30 EDEDLP C=CC[NH+]1CCC(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000369936854 446170190 /nfs/dbraw/zinc/17/01/90/446170190.db2.gz RKLMBHUXYGZUTP-UHFFFAOYSA-N 2 2 334.508 1.313 20 30 EDEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000370329292 446232418 /nfs/dbraw/zinc/23/24/18/446232418.db2.gz BUBXLWVXEYNDQO-CYBMUJFWSA-N 2 2 348.397 1.735 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cc(C#N)cc3F)C2)CC1 ZINC000370329292 446232422 /nfs/dbraw/zinc/23/24/22/446232422.db2.gz BUBXLWVXEYNDQO-CYBMUJFWSA-N 2 2 348.397 1.735 20 30 EDEDLP Cc1cc(C)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c(C)[nH+]1 ZINC000411395077 446518395 /nfs/dbraw/zinc/51/83/95/446518395.db2.gz CGBPVJQIDGLYLQ-UHFFFAOYSA-N 2 2 345.447 1.639 20 30 EDEDLP Cc1[nH+]ccn1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000457694469 447622128 /nfs/dbraw/zinc/62/21/28/447622128.db2.gz QELPVRKOXCKYGQ-UHFFFAOYSA-N 2 2 337.427 1.866 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000490851007 447898957 /nfs/dbraw/zinc/89/89/57/447898957.db2.gz DRNKDVNRLGXSPQ-QRVBRYPASA-N 2 2 346.519 1.101 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)CC1 ZINC000490866796 447901778 /nfs/dbraw/zinc/90/17/78/447901778.db2.gz VBUFJFGNPUEYDE-SFHVURJKSA-N 2 2 328.460 1.454 20 30 EDEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C#N)n1 ZINC000570449240 448016301 /nfs/dbraw/zinc/01/63/01/448016301.db2.gz RKJSGRXEOPNZOM-UHFFFAOYSA-N 2 2 330.436 1.443 20 30 EDEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C#N)n1 ZINC000570449240 448016308 /nfs/dbraw/zinc/01/63/08/448016308.db2.gz RKJSGRXEOPNZOM-UHFFFAOYSA-N 2 2 330.436 1.443 20 30 EDEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000491803077 448131046 /nfs/dbraw/zinc/13/10/46/448131046.db2.gz IKUXLTRWVHCBNV-QGZVFWFLSA-N 2 2 328.460 1.160 20 30 EDEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013195 448369179 /nfs/dbraw/zinc/36/91/79/448369179.db2.gz IGZBYUGTIULICK-OALUTQOASA-N 2 2 330.476 1.619 20 30 EDEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000516013195 448369184 /nfs/dbraw/zinc/36/91/84/448369184.db2.gz IGZBYUGTIULICK-OALUTQOASA-N 2 2 330.476 1.619 20 30 EDEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)[C@@H]3CCOC3)CC2)cc1 ZINC000538406605 448585817 /nfs/dbraw/zinc/58/58/17/448585817.db2.gz LYBGTCXQMGZFNX-MJGOQNOKSA-N 2 2 329.444 1.510 20 30 EDEDLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C#N)c[nH+]1 ZINC000578760874 448629578 /nfs/dbraw/zinc/62/95/78/448629578.db2.gz NNMROVLCUOIQPV-MQVJKMGUSA-N 2 2 327.432 1.179 20 30 EDEDLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C#N)c[nH+]1 ZINC000578760874 448629583 /nfs/dbraw/zinc/62/95/83/448629583.db2.gz NNMROVLCUOIQPV-MQVJKMGUSA-N 2 2 327.432 1.179 20 30 EDEDLP C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574312266 448842296 /nfs/dbraw/zinc/84/22/96/448842296.db2.gz MDJUWGKUDVAMCK-LJQANCHMSA-N 2 2 346.475 1.180 20 30 EDEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000574312266 448842303 /nfs/dbraw/zinc/84/23/03/448842303.db2.gz MDJUWGKUDVAMCK-LJQANCHMSA-N 2 2 346.475 1.180 20 30 EDEDLP CN(C)c1[nH+]ccc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000580829767 448957930 /nfs/dbraw/zinc/95/79/30/448957930.db2.gz XQAQOXBORCDARH-INIZCTEOSA-N 2 2 327.432 1.919 20 30 EDEDLP CN(C)c1[nH+]ccc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000580829767 448957938 /nfs/dbraw/zinc/95/79/38/448957938.db2.gz XQAQOXBORCDARH-INIZCTEOSA-N 2 2 327.432 1.919 20 30 EDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000580836794 448958234 /nfs/dbraw/zinc/95/82/34/448958234.db2.gz KFYUHLNLGQQJFP-IEBWSBKVSA-N 2 2 328.460 1.859 20 30 EDEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000580836794 448958240 /nfs/dbraw/zinc/95/82/40/448958240.db2.gz KFYUHLNLGQQJFP-IEBWSBKVSA-N 2 2 328.460 1.859 20 30 EDEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000593050663 449114227 /nfs/dbraw/zinc/11/42/27/449114227.db2.gz HHMJVOYQUNWUFL-UHFFFAOYSA-N 2 2 328.460 1.694 20 30 EDEDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000593050663 449114231 /nfs/dbraw/zinc/11/42/31/449114231.db2.gz HHMJVOYQUNWUFL-UHFFFAOYSA-N 2 2 328.460 1.694 20 30 EDEDLP N#Cc1ccc(CC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000595894874 449238377 /nfs/dbraw/zinc/23/83/77/449238377.db2.gz ZZXAHYXFDVZKTP-UHFFFAOYSA-N 2 2 336.443 1.675 20 30 EDEDLP CCc1nc(C#N)cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000596138776 449382096 /nfs/dbraw/zinc/38/20/96/449382096.db2.gz NRSCMHABDHZELG-UHFFFAOYSA-N 2 2 342.491 2.273 20 30 EDEDLP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000600724965 449519107 /nfs/dbraw/zinc/51/91/07/449519107.db2.gz VIPIJNUYDGUTOP-GOSISDBHSA-N 3 2 343.475 1.238 20 30 EDEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]2)CCO1 ZINC000594441165 449520085 /nfs/dbraw/zinc/52/00/85/449520085.db2.gz NYVQMYHGLGGPDK-ZBFHGGJFSA-N 2 2 345.447 1.334 20 30 EDEDLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441695 449521153 /nfs/dbraw/zinc/52/11/53/449521153.db2.gz UZBBRRWBBYTSQP-MRXNPFEDSA-N 2 2 333.436 1.347 20 30 EDEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1C#N ZINC000594803487 449715024 /nfs/dbraw/zinc/71/50/24/449715024.db2.gz OYFVVJQUNDFOMB-AWEZNQCLSA-N 2 2 338.477 1.109 20 30 EDEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1C#N ZINC000594803487 449715027 /nfs/dbraw/zinc/71/50/27/449715027.db2.gz OYFVVJQUNDFOMB-AWEZNQCLSA-N 2 2 338.477 1.109 20 30 EDEDLP N#CCCN(CC[NH+]1CCOCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596986116 449749690 /nfs/dbraw/zinc/74/96/90/449749690.db2.gz UHMKHRAPUZEGEN-UHFFFAOYSA-N 2 2 340.431 1.315 20 30 EDEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)c(O)c3)C2)CC1 ZINC000615428255 450094589 /nfs/dbraw/zinc/09/45/89/450094589.db2.gz KHPNWLXLOVRFJH-OAHLLOKOSA-N 2 2 328.416 1.162 20 30 EDEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809593 450342655 /nfs/dbraw/zinc/34/26/55/450342655.db2.gz HASFYITUYVEKAD-RDTXWAMCSA-N 2 2 325.460 1.994 20 30 EDEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809593 450342660 /nfs/dbraw/zinc/34/26/60/450342660.db2.gz HASFYITUYVEKAD-RDTXWAMCSA-N 2 2 325.460 1.994 20 30 EDEDLP C=CCCn1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)nn1 ZINC000657332807 453767521 /nfs/dbraw/zinc/76/75/21/453767521.db2.gz QKOCIJBUXWKNIS-UHFFFAOYSA-N 2 2 341.463 1.291 20 30 EDEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000264086158 535490128 /nfs/dbraw/zinc/49/01/28/535490128.db2.gz FOJBGFHZGSUBCT-UHFFFAOYSA-N 2 2 344.459 1.423 20 30 EDEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000743492071 579481715 /nfs/dbraw/zinc/48/17/15/579481715.db2.gz PAUOATQHHSPRDU-LJQANCHMSA-N 2 2 349.519 1.727 20 30 EDEDLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)CC1 ZINC000731212872 578670870 /nfs/dbraw/zinc/67/08/70/578670870.db2.gz NTCJBNSLYXPDMS-IBGZPJMESA-N 2 2 344.459 1.037 20 30 EDEDLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)CC1 ZINC000731212872 578670871 /nfs/dbraw/zinc/67/08/71/578670871.db2.gz NTCJBNSLYXPDMS-IBGZPJMESA-N 2 2 344.459 1.037 20 30 EDEDLP COc1cccc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000755609737 579930905 /nfs/dbraw/zinc/93/09/05/579930905.db2.gz YCHIJWZRURLUCW-UHFFFAOYSA-N 2 2 326.404 1.683 20 30 EDEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769975320 580250223 /nfs/dbraw/zinc/25/02/23/580250223.db2.gz CVEMWFOFBMTPBJ-AEFFLSMTSA-N 2 2 331.460 1.132 20 30 EDEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000769975320 580250224 /nfs/dbraw/zinc/25/02/24/580250224.db2.gz CVEMWFOFBMTPBJ-AEFFLSMTSA-N 2 2 331.460 1.132 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000895807806 591277780 /nfs/dbraw/zinc/27/77/80/591277780.db2.gz CILPULRAIFNVAB-MRXNPFEDSA-N 2 2 329.448 1.337 20 30 EDEDLP C#CC[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000895807806 591277781 /nfs/dbraw/zinc/27/77/81/591277781.db2.gz CILPULRAIFNVAB-MRXNPFEDSA-N 2 2 329.448 1.337 20 30 EDEDLP COC/C(C)=C\CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703291 592051555 /nfs/dbraw/zinc/05/15/55/592051555.db2.gz DXBVEMUVVGSQNE-CHHVJCJISA-N 2 2 333.432 1.748 20 30 EDEDLP COC/C(C)=C\CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703291 592051558 /nfs/dbraw/zinc/05/15/58/592051558.db2.gz DXBVEMUVVGSQNE-CHHVJCJISA-N 2 2 333.432 1.748 20 30 EDEDLP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000904099157 592424998 /nfs/dbraw/zinc/42/49/98/592424998.db2.gz LHNNJVRAYZWMAO-CBMUFDATSA-N 2 2 343.431 1.602 20 30 EDEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000905497106 592553551 /nfs/dbraw/zinc/55/35/51/592553551.db2.gz WINHYYZBDZQPIG-HHXXYDBFSA-N 2 2 328.460 1.715 20 30 EDEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000905497106 592553552 /nfs/dbraw/zinc/55/35/52/592553552.db2.gz WINHYYZBDZQPIG-HHXXYDBFSA-N 2 2 328.460 1.715 20 30 EDEDLP